CID 2802903

27385-45-1

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CC(=NNC2=CC=CC=C2)CC(=O)C1

InChI

InChI=1S/C12H14N2O/c15-12-8-4-7-11(9-12)14-13-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2

InChIKey

ASBKHKGFGCNQJB-UHFFFAOYSA-N

Compound name

3-(phenylhydrazinylidene)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 202.11061 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.11789	142.8
[M+Na]+	225.09983	147.4
[M-H]-	201.10333	150.1
[M+NH4]+	220.14443	161.4
[M+K]+	241.07377	144.8
[M+H-H2O]+	185.10787	135.0
[M+HCOO]-	247.10881	167.7
[M+CH3COO]-	261.12446	190.2
[M+Na-2H]-	223.08528	149.5
[M]+	202.11006	137.7
[M]-	202.11116	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe