CID 11073371

2-cyclopenten-1-one, 5,5-dimethyl-

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1(CC=CC1=O)C

InChI

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

InChIKey

OUDVKHIZRZRHGO-UHFFFAOYSA-N

Compound name

5,5-dimethylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 110.073166 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]+	111.08044	121.4
[M+Na]+	133.06238	133.0
[M+NH4]+	128.10699	132.3
[M+K]+	149.03632	126.7
[M-H]-	109.06589	123.1
[M+Na-2H]-	131.04783	128.7
[M]+	110.07262	123.6
[M]-	110.07371	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe