CID 116247

3-pyridinecarbonyl azide, 6-methyl-

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]+ 163.061426 129.5
[M+Na]+ 185.043368 137.4
[M-H]- 161.046874 135.1
[M+NH4]+ 180.087973 149.1
[M+K]+ 201.017308 132.1
[M+H-H2O]+ 145.051410 126.8
[M+HCOO]- 207.052351 159.8
[M+CH3COO]- 221.068001 180.1
[M+Na-2H]- 183.028816 140.7
[M]+ 162.05360142 127.6
[M]- 162.05469858 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