CID 13892

1011-12-7

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

C1CCC(=C2CCCCC2=O)CC1

InChI

InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2

InChIKey

TYDSIOSLHQWFOU-UHFFFAOYSA-N

Compound name

2-cyclohexylidenecyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1004
Patents: 178.13577 Da
Monoisotopic Mass: 2.9
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]+	179.143046	141.6
[M+Na]+	201.124988	144.4
[M-H]-	177.128494	146.6
[M+NH4]+	196.169593	161.0
[M+K]+	217.098928	141.7
[M+H-H2O]+	161.133030	135.0
[M+HCOO]-	223.133971	158.6
[M+CH3COO]-	237.149621	179.0
[M+Na-2H]-	199.110436	143.9
[M]+	178.13522142	131.6
[M]-	178.13631858	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe