CID 637822

Einecs 272-973-1

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC(=O)C1=C(CCCC1)O

InChI

InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h10H,2-5H2,1H3

InChIKey

CSYFWIXHSRSTTG-UHFFFAOYSA-N

Compound name

1-(2-hydroxycyclohexen-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 140.08372 Da
Monoisotopic Mass: 1.6
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]+	141.09100	128.9
[M+Na]+	163.07294	139.9
[M+NH4]+	158.11754	137.3
[M+K]+	179.04688	134.7
[M-H]-	139.07644	130.1
[M+Na-2H]-	161.05839	133.9
[M]+	140.08317	130.6
[M]-	140.08427	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe