CID 116247

64038-04-6

Structural Information

Molecular Formula
C7H6N4O
SMILES
CC1=NC=C(C=C1)C(=O)N=[N+]=[N-]
InChI
InChI=1S/C7H6N4O/c1-5-2-3-6(4-9-5)7(12)10-11-8/h2-4H,1H3
InChIKey
YYXGWNSPDYWKJS-UHFFFAOYSA-N
Compound name
6-methylpyridine-3-carbonyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

162.05415 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 130.2
[M+Na]+ 185.04337 143.5
[M+NH4]+ 180.08797 138.5
[M+K]+ 201.01731 139.2
[M-H]- 161.04687 134.9
[M+Na-2H]- 183.02882 138.5
[M]+ 162.05360 133.2
[M]- 162.05470 133.2
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