CID 63116215

1339779-18-8

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC(=C(C=C1N)C(=O)O)N2C=NN=N2
InChI
InChI=1S/C8H7N5O2/c9-5-1-2-7(6(3-5)8(14)15)13-4-10-11-12-13/h1-4H,9H2,(H,14,15)
InChIKey
IMMFVWXLLCVTCP-UHFFFAOYSA-N
Compound name
5-amino-2-(tetrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 141.8
[M+Na]+ 228.04919 151.4
[M-H]- 204.05269 142.6
[M+NH4]+ 223.09379 155.8
[M+K]+ 244.02313 148.0
[M+H-H2O]+ 188.05723 132.7
[M+HCOO]- 250.05817 162.2
[M+CH3COO]- 264.07382 183.4
[M+Na-2H]- 226.03464 146.9
[M]+ 205.05942 140.4
[M]- 205.06052 140.4
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.