CID 44721315

884504-71-6

Structural Information

Molecular Formula
C7H5N5O2
SMILES
C1=CN=C(C=C1C(=O)O)N2C=NN=N2
InChI
InChI=1S/C7H5N5O2/c13-7(14)5-1-2-8-6(3-5)12-4-9-10-11-12/h1-4H,(H,13,14)
InChIKey
XXAWYHAEHQHNJC-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

191.04433 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05161 137.8
[M+Na]+ 214.03355 147.8
[M-H]- 190.03705 137.4
[M+NH4]+ 209.07815 151.2
[M+K]+ 230.00749 144.9
[M+H-H2O]+ 174.04159 128.1
[M+HCOO]- 236.04253 156.6
[M+CH3COO]- 250.05818 149.8
[M+Na-2H]- 212.01900 144.4
[M]+ 191.04378 137.7
[M]- 191.04488 137.7
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

patents stripe