CID 11105589

72185-81-0

Structural Information

Molecular Formula
C4H9NO3
SMILES
COC(=O)C(CN)O
InChI
InChI=1S/C4H9NO3/c1-8-4(7)3(6)2-5/h3,6H,2,5H2,1H3
InChIKey
LFVPHXOOLUCFFB-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

344
Patents

119.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.9
[M+Na]+ 142.04746 130.6
[M+NH4]+ 137.09206 129.3
[M+K]+ 158.02140 128.2
[M-H]- 118.05096 120.8
[M+Na-2H]- 140.03291 124.8
[M]+ 119.05769 122.8
[M]- 119.05879 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe