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]+ 177.07709 134.2
[M+Na]+ 199.05903 142.6
[M-H]- 175.06253 139.9
[M+NH4]+ 194.10363 153.5
[M+K]+ 215.03297 137.0
[M+H-H2O]+ 159.06707 131.6
[M+HCOO]- 221.06801 164.1
[M+CH3COO]- 235.08366 184.2
[M+Na-2H]- 197.04448 144.1
[M]+ 176.06926 133.0
[M]- 176.07036 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