CID 458491

N-(methoxycarbonyl)glycine

Structural Information

Molecular Formula
C4H7NO4
SMILES
COC(=O)NCC(=O)O
InChI
InChI=1S/C4H7NO4/c1-9-4(8)5-2-3(6)7/h2H2,1H3,(H,5,8)(H,6,7)
InChIKey
SBJKLBMVVHKFNQ-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

498
Patents

133.0375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04478 123.9
[M+Na]+ 156.02672 130.8
[M-H]- 132.03022 123.2
[M+NH4]+ 151.07132 144.7
[M+K]+ 172.00066 131.7
[M+H-H2O]+ 116.03476 119.2
[M+HCOO]- 178.03570 147.2
[M+CH3COO]- 192.05135 169.9
[M+Na-2H]- 154.01217 129.2
[M]+ 133.03695 124.6
[M]- 133.03805 124.6
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