CID 203870

4-pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1CCC(=NNC(=O)C2=CC=NC=C2)CC1
InChI
InChI=1S/C13H17N3O/c1-10-2-4-12(5-3-10)15-16-13(17)11-6-8-14-9-7-11/h6-10H,2-5H2,1H3,(H,16,17)
InChIKey
SLBNEHOMJBNFJF-UHFFFAOYSA-N
Compound name
N-[(4-methylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

231.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 152.7
[M+Na]+ 254.126378 156.7
[M-H]- 230.129884 158.4
[M+NH4]+ 249.170983 168.8
[M+K]+ 270.100318 154.1
[M+H-H2O]+ 214.134420 143.8
[M+HCOO]- 276.135361 175.0
[M+CH3COO]- 290.151011 196.1
[M+Na-2H]- 252.111826 157.8
[M]+ 231.13661142 147.7
[M]- 231.13770858 147.7
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

patents stripe