CID 548977

Methallylcyclopentane

Structural Information

Molecular Formula

C₉H₁₆

SMILES

CC(=C)CC1CCCC1

InChI

InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3

InChIKey

AYPUQHOHNKLMOW-UHFFFAOYSA-N

Compound name

2-methylprop-2-enylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 124.1252 Da
Monoisotopic Mass: 4.2
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]+	125.13248	130.2
[M+Na]+	147.11442	135.4
[M-H]-	123.11792	133.0
[M+NH4]+	142.15902	154.0
[M+K]+	163.08836	134.2
[M+H-H2O]+	107.12246	125.1
[M+HCOO]-	169.12340	151.6
[M+CH3COO]-	183.13905	172.3
[M+Na-2H]-	145.09987	132.8
[M]+	124.12465	126.5
[M]-	124.12575	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe