CID 14270

1121-05-7

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC1=C(C(=O)CC1)C

InChI

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

InChIKey

UZLQSPYGTUMKGS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 601
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]+	111.080442	119.2
[M+Na]+	133.062384	128.5
[M-H]-	109.065890	123.5
[M+NH4]+	128.106989	144.4
[M+K]+	149.036324	127.6
[M+H-H2O]+	93.070426	115.1
[M+HCOO]-	155.071367	144.1
[M+CH3COO]-	169.087017	169.2
[M+Na-2H]-	131.047832	124.0
[M]+	110.07261742	119.1
[M]-	110.07371458	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe