CID 137448

1-ethyl-1-cyclopentene

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CCC1=CCCC1

InChI

InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h5H,2-4,6H2,1H3

InChIKey

QYYQTLLGVAPKPN-UHFFFAOYSA-N

Compound name

1-ethylcyclopentene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2292
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	119.5
[M+Na]+	119.08312	131.0
[M+NH4]+	114.12772	129.8
[M+K]+	135.05706	125.8
[M-H]-	95.086624	122.0
[M+Na-2H]-	117.06857	126.0
[M]+	96.093351	121.8
[M]-	96.094449	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe