CID 5894104

15885-63-9

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC\1CCCC/C1=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H17N3O/c1-10-4-2-3-5-12(10)15-16-13(17)11-6-8-14-9-7-11/h6-10H,2-5H2,1H3,(H,16,17)/b15-12-
InChIKey
JCDUNXBXHFOXMR-QINSGFPZSA-N
Compound name
N-[(Z)-(2-methylcyclohexylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.7
[M+Na]+ 254.12638 156.7
[M-H]- 230.12988 158.4
[M+NH4]+ 249.17098 168.8
[M+K]+ 270.10032 154.1
[M+H-H2O]+ 214.13442 143.8
[M+HCOO]- 276.13536 175.0
[M+CH3COO]- 290.15101 196.1
[M+Na-2H]- 252.11183 157.8
[M]+ 231.13661 147.7
[M]- 231.13771 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.