CID 122164480

3-(5-amino-1h-1,2,3,4-tetrazol-1-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05997 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 141.7
[M+Na]+ 228.04919 153.2
[M+NH4]+ 223.09379 147.0
[M+K]+ 244.02313 151.6
[M-H]- 204.05269 141.8
[M+Na-2H]- 226.03464 148.1
[M]+ 205.05942 142.9
[M]- 205.06052 142.9
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.