CID 85597

16807-60-6

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

COC1=CC(=O)CCC1

InChI

InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h5H,2-4H2,1H3

InChIKey

JFTPIEHHCQPVCS-UHFFFAOYSA-N

Compound name

3-methoxycyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 194
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	123.8
[M+Na]+	149.05730	135.9
[M+NH4]+	144.10190	132.9
[M+K]+	165.03124	129.8
[M-H]-	125.06080	125.8
[M+Na-2H]-	147.04275	130.1
[M]+	126.06753	125.9
[M]-	126.06863	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe