CID 6660

Cyclotene

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

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

InChI

InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3

InChIKey

CFAKWWQIUFSQFU-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 8
References: 10746
Patents: 112.05243 Da
Monoisotopic Mass: 0.3
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]+	113.05971	118.7
[M+Na]+	135.04165	128.0
[M-H]-	111.04515	121.7
[M+NH4]+	130.08625	143.0
[M+K]+	151.01559	126.8
[M+H-H2O]+	95.049690	114.7
[M+HCOO]-	157.05063	142.6
[M+CH3COO]-	171.06628	165.4
[M+Na-2H]-	133.02710	123.5
[M]+	112.05188	117.8
[M]-	112.05298	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe