CID 16786632

56099-63-9

Structural Information

Molecular Formula
C4H8N2O3
SMILES
CNC(=O)NCC(=O)O
InChI
InChI=1S/C4H8N2O3/c1-5-4(9)6-2-3(7)8/h2H2,1H3,(H,7,8)(H2,5,6,9)
InChIKey
JBGKTLCSARFDPE-UHFFFAOYSA-N
Compound name
2-(methylcarbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

132.0535 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06078 125.4
[M+Na]+ 155.04272 131.4
[M-H]- 131.04622 124.7
[M+NH4]+ 150.08732 145.8
[M+K]+ 171.01666 131.8
[M+H-H2O]+ 115.05076 120.3
[M+HCOO]- 177.05170 149.5
[M+CH3COO]- 191.06735 172.9
[M+Na-2H]- 153.02817 130.8
[M]+ 132.05295 123.7
[M]- 132.05405 123.7
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