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

320
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 125.2
[M+Na]+ 156.02672 132.8
[M+NH4]+ 151.07132 130.9
[M+K]+ 172.00066 130.6
[M-H]- 132.03022 122.5
[M+Na-2H]- 154.01217 127.0
[M]+ 133.03695 124.9
[M]- 133.03805 124.9
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