CID 506080

199535-07-4

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC(=CC(=C1)NC2=NNN=N2)C(=O)O
InChI
InChI=1S/C8H7N5O2/c14-7(15)5-2-1-3-6(4-5)9-8-10-12-13-11-8/h1-4H,(H,14,15)(H2,9,10,11,12,13)
InChIKey
CJWVRTYTTSAQKQ-UHFFFAOYSA-N
Compound name
3-(2H-tetrazol-5-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.05997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 141.2
[M+Na]+ 228.04919 149.3
[M-H]- 204.05269 140.7
[M+NH4]+ 223.09379 154.4
[M+K]+ 244.02313 145.5
[M+H-H2O]+ 188.05723 131.9
[M+HCOO]- 250.05817 160.7
[M+CH3COO]- 264.07382 180.5
[M+Na-2H]- 226.03464 147.6
[M]+ 205.05942 138.5
[M]- 205.06052 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

literature stripe

Patent stripe

No patent data available for this compound.