CID 6047084

Isonicotinic acid, (3-methylcyclohexylidene)hydrazide

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1CCC/C(=N/NC(=O)C2=CC=NC=C2)/C1
InChI
InChI=1S/C13H17N3O/c1-10-3-2-4-12(9-10)15-16-13(17)11-5-7-14-8-6-11/h5-8,10H,2-4,9H2,1H3,(H,16,17)/b15-12-
InChIKey
UYQHHKANUYIZLE-QINSGFPZSA-N
Compound name
N-[(Z)-(3-methylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.