CID 227351

3197-68-0

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CCC(=CC1)CCO

InChI

InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h4,9H,1-3,5-7H2

InChIKey

UOAZYMOJIMTMHR-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 170
Patents: 126.10446 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]+	127.11174	126.9
[M+Na]+	149.09368	138.3
[M+NH4]+	144.13828	136.3
[M+K]+	165.06762	131.6
[M-H]-	125.09718	129.0
[M+Na-2H]-	147.07913	133.1
[M]+	126.10391	129.0
[M]-	126.10501	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe