CID 527427

2-methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=C)C1CCC(=C)C(C1)O

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3

InChIKey

PNVTXOFNJFHXOK-UHFFFAOYSA-N

Compound name

2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 70
Patents: 152.12012 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]+	153.127396	133.9
[M+Na]+	175.109338	139.6
[M-H]-	151.112844	135.7
[M+NH4]+	170.153943	154.6
[M+K]+	191.083278	137.1
[M+H-H2O]+	135.117380	129.3
[M+HCOO]-	197.118321	151.9
[M+CH3COO]-	211.133971	176.2
[M+Na-2H]-	173.094786	135.6
[M]+	152.11957142	128.1
[M]-	152.12066858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe