CID 9543263

N-carboxyglycine

Structural Information

Molecular Formula
C3H5NO4
SMILES
C(C(=O)O)NC(=O)O
InChI
InChI=1S/C3H5NO4/c5-2(6)1-4-3(7)8/h4H,1H2,(H,5,6)(H,7,8)
InChIKey
UCWMWNHWCYYDTD-UHFFFAOYSA-N
Compound name
2-(carboxyamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1211
Patents

119.02186 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02914 119.9
[M+Na]+ 142.01108 126.7
[M-H]- 118.01458 117.9
[M+NH4]+ 137.05568 140.3
[M+K]+ 157.98502 126.9
[M+H-H2O]+ 102.01912 115.4
[M+HCOO]- 164.02006 142.0
[M+CH3COO]- 178.03571 165.1
[M+Na-2H]- 139.99653 125.1
[M]+ 119.02131 118.3
[M]- 119.02241 118.3
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