CID 11789291

2-(prop-2-en-1-yl)cyclohexan-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C=CCC1CCCCC1O

InChI

InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h2,8-10H,1,3-7H2

InChIKey

SBIOKFOCGZXJME-UHFFFAOYSA-N

Compound name

2-prop-2-enylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 140.12012 Da
Monoisotopic Mass: 2.4
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]+	141.127396	131.7
[M+Na]+	163.109338	136.8
[M-H]-	139.112844	133.2
[M+NH4]+	158.153943	152.6
[M+K]+	179.083278	134.6
[M+H-H2O]+	123.117380	126.7
[M+HCOO]-	185.118321	150.8
[M+CH3COO]-	199.133971	172.0
[M+Na-2H]-	161.094786	135.8
[M]+	140.11957142	126.5
[M]-	140.12066858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe