CID 89539

21835-00-7

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CC1CC(=O)C(=C1C)O

InChI

InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4,9H,3H2,1-2H3

InChIKey

GXUQPCUHTNAVRJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 116
Patents: 126.06808 Da
Monoisotopic Mass: 0.6
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]+	127.075356	122.4
[M+Na]+	149.057298	132.2
[M-H]-	125.060804	125.6
[M+NH4]+	144.101903	146.5
[M+K]+	165.031238	130.7
[M+H-H2O]+	109.065340	118.6
[M+HCOO]-	171.066281	146.0
[M+CH3COO]-	185.081931	169.6
[M+Na-2H]-	147.042746	126.1
[M]+	126.06753142	122.3
[M]-	126.06862858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe