CID 416960

Methyl 2-amino-3-hydroxypropanoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

14
References

6982
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 123.3
[M+Na]+ 142.04746 129.9
[M-H]- 118.05096 122.0
[M+NH4]+ 137.09206 144.4
[M+K]+ 158.02140 130.5
[M+H-H2O]+ 102.05550 118.7
[M+HCOO]- 164.05644 145.5
[M+CH3COO]- 178.07209 168.7
[M+Na-2H]- 140.03291 127.4
[M]+ 119.05769 122.2
[M]- 119.05879 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

literature stripe

Patent stripe

patents stripe