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: 21
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]+	125.132476	130.2
[M+Na]+	147.114418	135.4
[M-H]-	123.117924	133.0
[M+NH4]+	142.159023	154.0
[M+K]+	163.088358	134.2
[M+H-H2O]+	107.122460	125.1
[M+HCOO]-	169.123401	151.6
[M+CH3COO]-	183.139051	172.3
[M+Na-2H]-	145.099866	132.8
[M]+	124.12465142	126.5
[M]-	124.12574858	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe