CID 54982

6-methyl-n-(1h-tetrazol-5-yl)-2-pyridinecarboxamide

Structural Information

Molecular Formula
C8H8N6O
SMILES
CC1=NC(=CC=C1)C(=O)NC2N=NN=N2
InChI
InChI=1S/C8H8N6O/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8/h2-4,8H,1H3,(H,10,15)
InChIKey
VBNJFJMZDMJMLS-UHFFFAOYSA-N
Compound name
6-methyl-N-(5H-tetrazol-5-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

204.07596 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08324 142.7
[M+Na]+ 227.06518 152.0
[M-H]- 203.06868 143.6
[M+NH4]+ 222.10978 156.1
[M+K]+ 243.03912 149.1
[M+H-H2O]+ 187.07322 132.3
[M+HCOO]- 249.07416 163.6
[M+CH3COO]- 263.08981 154.6
[M+Na-2H]- 225.05063 149.9
[M]+ 204.07541 142.7
[M]- 204.07651 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe