CID 549155

Butylidenecyclohexane

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CCCC=C1CCCCC1

InChI

InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h7H,2-6,8-9H2,1H3

InChIKey

DVJPAIYXIZTKPM-UHFFFAOYSA-N

Compound name

butylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 138.14085 Da
Monoisotopic Mass: 3.8
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]+	139.14813	133.0
[M+Na]+	161.13007	137.2
[M-H]-	137.13357	135.4
[M+NH4]+	156.17467	154.5
[M+K]+	177.10401	135.3
[M+H-H2O]+	121.13811	127.6
[M+HCOO]-	183.13905	153.1
[M+CH3COO]-	197.15470	174.1
[M+Na-2H]-	159.11552	137.7
[M]+	138.14030	128.1
[M]-	138.14140	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe