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]+ 206.067246 141.8
[M+Na]+ 228.049188 151.4
[M-H]- 204.052694 142.6
[M+NH4]+ 223.093793 155.8
[M+K]+ 244.023128 148.0
[M+H-H2O]+ 188.057230 132.7
[M+HCOO]- 250.058171 162.2
[M+CH3COO]- 264.073821 183.4
[M+Na-2H]- 226.034636 146.9
[M]+ 205.05942142 140.4
[M]- 205.06051858 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.