CID 122155261

2-(3-carbamoyl-1h-1,2,4-triazol-1-yl)acetic acid

Structural Information

Molecular Formula
C5H6N4O3
SMILES
C1=NC(=NN1CC(=O)O)C(=O)N
InChI
InChI=1S/C5H6N4O3/c6-4(12)5-7-2-9(8-5)1-3(10)11/h2H,1H2,(H2,6,12)(H,10,11)
InChIKey
CMLHYHSPLZQNML-UHFFFAOYSA-N
Compound name
2-(3-carbamoyl-1,2,4-triazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.04399 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05127 133.3
[M+Na]+ 193.03321 141.3
[M+NH4]+ 188.07781 137.6
[M+K]+ 209.00715 141.6
[M-H]- 169.03671 130.3
[M+Na-2H]- 191.01866 135.7
[M]+ 170.04344 132.8
[M]- 170.04454 132.8
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.