CID 10486829

Methyl 3-amino-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(CN)C(=O)OC
InChI
InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3
InChIKey
BXGDNKQFNQZCLG-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

480
Patents

117.07898 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.5
[M+Na]+ 140.06820 131.2
[M-H]- 116.07170 124.6
[M+NH4]+ 135.11280 146.5
[M+K]+ 156.04214 132.0
[M+H-H2O]+ 100.07624 119.8
[M+HCOO]- 162.07718 147.7
[M+CH3COO]- 176.09283 172.3
[M+Na-2H]- 138.05365 128.6
[M]+ 117.07843 124.3
[M]- 117.07953 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe