CID 7296

Methylcyclopentane

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CC1CCCC1

InChI

InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3

InChIKey

GDOPTJXRTPNYNR-UHFFFAOYSA-N

Compound name

methylcyclopentane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 45
References: 163874
Patents: 84.0939 Da
Monoisotopic Mass: 3.4
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]+	85.101176	116.9
[M+Na]+	107.08312	123.3
[M-H]-	83.086624	120.1
[M+NH4]+	102.12772	142.4
[M+K]+	123.05706	123.1
[M+H-H2O]+	67.091160	112.3
[M+HCOO]-	129.09210	140.1
[M+CH3COO]-	143.10775	163.4
[M+Na-2H]-	105.06857	122.4
[M]+	84.093351	113.4
[M]-	84.094449	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe