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: 111
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]+	127.07536	122.4
[M+Na]+	149.05730	132.2
[M-H]-	125.06080	125.6
[M+NH4]+	144.10190	146.5
[M+K]+	165.03124	130.7
[M+H-H2O]+	109.06534	118.6
[M+HCOO]-	171.06628	146.0
[M+CH3COO]-	185.08193	169.6
[M+Na-2H]-	147.04275	126.1
[M]+	126.06753	122.3
[M]-	126.06863	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe