CID 63750111

5-(1h-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H5N5O2
SMILES
C1=CC(=NC=C1C2=NNN=N2)C(=O)O
InChI
InChI=1S/C7H5N5O2/c13-7(14)5-2-1-4(3-8-5)6-9-11-12-10-6/h1-3H,(H,13,14)(H,9,10,11,12)
InChIKey
ROHIIUVBCHQIIV-UHFFFAOYSA-N
Compound name
5-(2H-tetrazol-5-yl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04433 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05161 138.6
[M+Na]+ 214.03355 148.1
[M-H]- 190.03705 136.8
[M+NH4]+ 209.07815 151.2
[M+K]+ 230.00749 144.3
[M+H-H2O]+ 174.04159 129.1
[M+HCOO]- 236.04253 155.8
[M+CH3COO]- 250.05818 149.9
[M+Na-2H]- 212.01900 144.6
[M]+ 191.04378 136.6
[M]- 191.04488 136.6
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.