CID 166355

Cyclohexanone, 2-octylidene-

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

CCCCCCCC=C1CCCCC1=O

InChI

InChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3

InChIKey

FOTNXVZRWMBVGZ-UHFFFAOYSA-N

Compound name

2-octylidenecyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 208.18271 Da
Monoisotopic Mass: 4.9
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]+	209.18999	152.4
[M+Na]+	231.17193	156.2
[M-H]-	207.17543	154.4
[M+NH4]+	226.21653	171.3
[M+K]+	247.14587	153.1
[M+H-H2O]+	191.17997	146.3
[M+HCOO]-	253.18091	171.6
[M+CH3COO]-	267.19656	188.4
[M+Na-2H]-	229.15738	154.3
[M]+	208.18216	150.2
[M]-	208.18326	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe