Spectrum MoNA002044 for 2-AMINO-2-METHYL-PROPANOATE

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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
InChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
FUOOLUPWFVMBKG-UHFFFAOYSA-N
C4H9NO2
103.063328528
O=C(O)C(N)(C)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C4H9NO2
103.06333
103.06333
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.9379684515990309
0.2991453298921427
104.070472717285
[M+H]+
7.935110636455451 ppm
-8.25810714999875E-4 Da