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

382
Patents

119.05824 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 123.3
[M+Na]+ 142.047458 129.9
[M-H]- 118.050964 122.0
[M+NH4]+ 137.092063 144.4
[M+K]+ 158.021398 130.5
[M+H-H2O]+ 102.055500 118.7
[M+HCOO]- 164.056441 145.5
[M+CH3COO]- 178.072091 168.7
[M+Na-2H]- 140.032906 127.4
[M]+ 119.05769142 122.2
[M]- 119.05878858 122.2
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