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

1279
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.