CID 6410566

70292-34-1

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CN=CC=C1NC2=NNN=C2C(=O)O
InChI
InChI=1S/C8H7N5O2/c14-8(15)6-7(12-13-11-6)10-5-1-3-9-4-2-5/h1-4H,(H,14,15)(H2,9,10,11,12,13)
InChIKey
WHTOEHHCKTWONN-UHFFFAOYSA-N
Compound name
5-(pyridin-4-ylamino)-2H-triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.067246 141.2
[M+Na]+ 228.049188 149.3
[M-H]- 204.052694 140.7
[M+NH4]+ 223.093793 154.4
[M+K]+ 244.023128 145.5
[M+H-H2O]+ 188.057230 131.9
[M+HCOO]- 250.058171 160.7
[M+CH3COO]- 264.073821 180.5
[M+Na-2H]- 226.034636 147.6
[M]+ 205.05942142 138.5
[M]- 205.06051858 138.5
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.