CID 192925

16112-10-0

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(=O)C1=CCCC1

InChI

InChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h4H,2-3,5H2,1H3

InChIKey

SLNPSLWTEUJUGY-UHFFFAOYSA-N

Compound name

1-(cyclopenten-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 924
Patents: 110.073166 Da
Monoisotopic Mass: 1.3
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]+	111.080442	121.8
[M+Na]+	133.062384	129.0
[M-H]-	109.065890	125.3
[M+NH4]+	128.106989	146.2
[M+K]+	149.036324	128.5
[M+H-H2O]+	93.070426	117.0
[M+HCOO]-	155.071367	145.7
[M+CH3COO]-	169.087017	167.8
[M+Na-2H]-	131.047832	126.5
[M]+	110.07261742	120.3
[M]-	110.07371458	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe