CID 3068264

83282-09-1

Structural Information

Molecular Formula
C8H8N6O
SMILES
CC1=NC(=CC=C1)C(=O)NC2=NNN=N2
InChI
InChI=1S/C8H8N6O/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8/h2-4H,1H3,(H2,10,11,12,13,14,15)
InChIKey
UQHAIRDRZJDIBZ-UHFFFAOYSA-N
Compound name
6-methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

204.07596 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08324 143.3
[M+Na]+ 227.06518 152.2
[M-H]- 203.06868 142.8
[M+NH4]+ 222.10978 156.0
[M+K]+ 243.03912 148.4
[M+H-H2O]+ 187.07322 133.2
[M+HCOO]- 249.07416 162.7
[M+CH3COO]- 263.08981 154.5
[M+Na-2H]- 225.05063 150.0
[M]+ 204.07541 141.4
[M]- 204.07651 141.4
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