CID 84249

14189-85-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

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

InChI

InChI=1S/C7H10O2/c1-5-3-4-6(8)7(5)9-2/h3-4H2,1-2H3

InChIKey

GTEGQQAMGYNDKS-UHFFFAOYSA-N

Compound name

2-methoxy-3-methylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	124.1
[M+Na]+	149.05730	135.4
[M+NH4]+	144.10190	132.9
[M+K]+	165.03124	131.6
[M-H]-	125.06080	125.4
[M+Na-2H]-	147.04275	129.1
[M]+	126.06753	125.9
[M]-	126.06863	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe