CID 9613785

Isonicotinoylhydrazone of 3,3,5-trimethylcyclohexanone

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC1C/C(=N\NC(=O)C2=CC=NC=C2)/CC(C1)(C)C
InChI
InChI=1S/C15H21N3O/c1-11-8-13(10-15(2,3)9-11)17-18-14(19)12-4-6-16-7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,19)/b17-13+
InChIKey
HVGFMKCAVPPMJU-GHRIWEEISA-N
Compound name
N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 161.1
[M+Na]+ 282.15768 166.2
[M-H]- 258.16118 167.2
[M+NH4]+ 277.20228 178.5
[M+K]+ 298.13162 163.6
[M+H-H2O]+ 242.16572 152.8
[M+HCOO]- 304.16666 182.8
[M+CH3COO]- 318.18231 202.8
[M+Na-2H]- 280.14313 165.5
[M]+ 259.16791 157.6
[M]- 259.16901 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.