CID 11768535

2-methoxycyclopent-2-en-1-one

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

COC1=CCCC1=O

InChI

InChI=1S/C6H8O2/c1-8-6-4-2-3-5(6)7/h4H,2-3H2,1H3

InChIKey

ZZPUYKVNYPHISS-UHFFFAOYSA-N

Compound name

2-methoxycyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 112.05243 Da
Monoisotopic Mass: 0.7
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	127.5
[M-H]-	111.04515	122.7
[M+NH4]+	130.08625	143.4
[M+K]+	151.01559	127.2
[M+H-H2O]+	95.049690	114.2
[M+HCOO]-	157.05063	144.2
[M+CH3COO]-	171.06628	167.0
[M+Na-2H]-	133.02710	124.7
[M]+	112.05188	119.3
[M]-	112.05298	119.3

Literature stripe

literature stripe

Patent stripe

patents stripe