CID 140120

16681-70-2

Structural Information

Molecular Formula
C3H3N3O2
SMILES
C1=NNN=C1C(=O)O
InChI
InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
InChIKey
GTODOEDLCNTSLG-UHFFFAOYSA-N
Compound name
2H-triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3275
Patents

113.02253 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.02981 119.5
[M+Na]+ 136.01175 129.5
[M+NH4]+ 131.05635 125.5
[M+K]+ 151.98569 128.2
[M-H]- 112.01525 116.9
[M+Na-2H]- 133.99720 123.8
[M]+ 113.02198 119.6
[M]- 113.02308 119.6
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