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

27
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.