CID 121710

3,4-dimethylcyclopent-2-enone

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1CC(=O)C=C1C

InChI

InChI=1S/C7H10O/c1-5-3-7(8)4-6(5)2/h3,6H,4H2,1-2H3

InChIKey

XSOSLVVAKBKYRV-UHFFFAOYSA-N

Compound name

3,4-dimethylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 150
Patents: 110.073166 Da
Monoisotopic Mass: 0.8
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]+	111.08044	121.0
[M+Na]+	133.06238	132.8
[M+NH4]+	128.10699	130.4
[M+K]+	149.03632	128.4
[M-H]-	109.06589	122.7
[M+Na-2H]-	131.04783	126.5
[M]+	110.07262	123.0
[M]-	110.07371	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe