CID 96222

2-butylidene-1-cyclohexanone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCCC=C1CCCCC1=O

InChI

InChI=1S/C10H16O/c1-2-3-6-9-7-4-5-8-10(9)11/h6H,2-5,7-8H2,1H3

InChIKey

MYSLPKPAMDRDGE-UHFFFAOYSA-N

Compound name

2-butylidenecyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 152.12012 Da
Monoisotopic Mass: 2.7
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]+	153.127396	134.1
[M+Na]+	175.109338	139.5
[M-H]-	151.112844	136.9
[M+NH4]+	170.153943	155.3
[M+K]+	191.083278	137.5
[M+H-H2O]+	135.117380	128.8
[M+HCOO]-	197.118321	154.6
[M+CH3COO]-	211.133971	176.2
[M+Na-2H]-	173.094786	138.2
[M]+	152.11957142	130.4
[M]-	152.12066858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe