CID 557087

68752-16-9

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC(=O)C1(CCC=C1)C

InChI

InChI=1S/C8H12O/c1-7(9)8(2)5-3-4-6-8/h3,5H,4,6H2,1-2H3

InChIKey

DIZVAYGKXSYCSO-UHFFFAOYSA-N

Compound name

1-(1-methylcyclopent-2-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 124.08881 Da
Monoisotopic Mass: 1.5
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]+	125.09609	127.0
[M+Na]+	147.07803	137.6
[M+NH4]+	142.12263	137.5
[M+K]+	163.05197	131.7
[M-H]-	123.08153	128.4
[M+Na-2H]-	145.06348	133.8
[M]+	124.08826	128.9
[M]-	124.08936	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe