CID 79145

1-allyl-1-cyclohexanol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C=CCC1(CCCCC1)O

InChI

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

InChIKey

ZSLKGUQYEQVKQE-UHFFFAOYSA-N

Compound name

1-prop-2-enylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 734
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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	132.2
[M+Na]+	163.109338	137.2
[M-H]-	139.112844	133.7
[M+NH4]+	158.153943	154.8
[M+K]+	179.083278	135.3
[M+H-H2O]+	123.117380	127.8
[M+HCOO]-	185.118321	151.3
[M+CH3COO]-	199.133971	170.5
[M+Na-2H]-	161.094786	138.0
[M]+	140.11957142	126.9
[M]-	140.12066858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe