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: 10
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	131.7
[M-H]-	125.06080	126.6
[M+NH4]+	144.10190	146.9
[M+K]+	165.03124	131.2
[M+H-H2O]+	109.06534	118.0
[M+HCOO]-	171.06628	147.5
[M+CH3COO]-	185.08193	171.2
[M+Na-2H]-	147.04275	127.2
[M]+	126.06753	123.8
[M]-	126.06863	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe