CID 45090

2,6-dimethylisonicotinoyl azide

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC1=CC(=CC(=N1)C)C(=O)N=[N+]=[N-]
InChI
InChI=1S/C8H8N4O/c1-5-3-7(4-6(2)10-5)8(13)11-12-9/h3-4H,1-2H3
InChIKey
UGLDUZIFHBWJHR-UHFFFAOYSA-N
Compound name
2,6-dimethylpyridine-4-carbonyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.06981 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 134.2
[M+Na]+ 199.059028 142.6
[M-H]- 175.062534 139.9
[M+NH4]+ 194.103633 153.5
[M+K]+ 215.032968 137.0
[M+H-H2O]+ 159.067070 131.6
[M+HCOO]- 221.068011 164.1
[M+CH3COO]- 235.083661 184.2
[M+Na-2H]- 197.044476 144.1
[M]+ 176.06926142 133.0
[M]- 176.07035858 133.0
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