CID 140955

4,4-dimethyl-2-cyclopenten-1-one

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1(CC(=O)C=C1)C

InChI

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

InChIKey

YVFVCSCZJJGBAK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 211
Patents: 110.073166 Da
Monoisotopic Mass: 1.4
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	118.9
[M+Na]+	133.06238	128.2
[M-H]-	109.06589	123.2
[M+NH4]+	128.10699	145.8
[M+K]+	149.03632	127.4
[M+H-H2O]+	93.070426	115.3
[M+HCOO]-	155.07137	143.9
[M+CH3COO]-	169.08702	167.6
[M+Na-2H]-	131.04783	125.6
[M]+	110.07262	118.8
[M]-	110.07371	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe