Spectrum FiehnHILIC002081 for Memantine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
BUGYDGFZZOZRHP-UHFFFAOYSA-N
C12H21N
179.167399672
NC12CC3CC(C)(C1)CC(C)(C3)C2
InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
35 eV
4.242917
449
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.699739662825327
0.40718303140758233
180.1763
[M+H]+
5.163431594553194 ppm
9.303280000096947E-4 Da