CID 13856

Ethylidenecyclohexane

Structural Information

Molecular Formula

C₈H₁₄

SMILES

CC=C1CCCCC1

InChI

InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3

InChIKey

BPBOWYWUOUJKLO-UHFFFAOYSA-N

Compound name

ethylidenecyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2117
Patents: 110.10955 Da
Monoisotopic Mass: 2.8
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]+	111.11683	123.8
[M+Na]+	133.09877	128.8
[M-H]-	109.10227	126.6
[M+NH4]+	128.14337	146.4
[M+K]+	149.07271	127.5
[M+H-H2O]+	93.106810	118.8
[M+HCOO]-	155.10775	144.5
[M+CH3COO]-	169.12340	168.0
[M+Na-2H]-	131.08422	129.6
[M]+	110.10900	118.2
[M]-	110.11010	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe