CID 64956

3-amino-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H9NO2
SMILES
CC(CN)C(=O)O
InChI
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
QCHPKSFMDHPSNR-UHFFFAOYSA-N
Compound name
3-amino-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

223
References

20569
Patents

103.06333 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 120.5
[M+Na]+ 126.05255 127.0
[M-H]- 102.05605 119.2
[M+NH4]+ 121.09715 142.2
[M+K]+ 142.02649 127.2
[M+H-H2O]+ 86.060590 116.1
[M+HCOO]- 148.06153 142.4
[M+CH3COO]- 162.07718 167.3
[M+Na-2H]- 124.03800 124.5
[M]+ 103.06278 118.0
[M]- 103.06388 118.0
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