CID 75068

Ethylidenecyclopentane

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CC=C1CCCC1

InChI

InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h2H,3-6H2,1H3

InChIKey

VONKRKBGTZDZNV-UHFFFAOYSA-N

Compound name

ethylidenecyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 448
Patents: 96.0939 Da
Monoisotopic Mass: 2.3
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]+	97.101176	120.5
[M+Na]+	119.08312	126.9
[M-H]-	95.086624	123.6
[M+NH4]+	114.12772	145.5
[M+K]+	135.05706	125.8
[M+H-H2O]+	79.091160	115.8
[M+HCOO]-	141.09210	143.6
[M+CH3COO]-	155.10775	164.8
[M+Na-2H]-	117.06857	125.5
[M]+	96.093351	116.6
[M]-	96.094449	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe