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 129.5
[M+Na]+ 185.04337 137.4
[M-H]- 161.04687 135.1
[M+NH4]+ 180.08797 149.1
[M+K]+ 201.01731 132.1
[M+H-H2O]+ 145.05141 126.8
[M+HCOO]- 207.05235 159.8
[M+CH3COO]- 221.06800 180.1
[M+Na-2H]- 183.02882 140.7
[M]+ 162.05360 127.6
[M]- 162.05470 127.6
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