CID 114559

13720-13-3

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CC(CCC1C(=C)CCCC1(C)C)O

InChI

InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3

InChIKey

XYSOCYCFJHMQON-UHFFFAOYSA-N

Compound name

4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 196.18271 Da
Monoisotopic Mass: 3.5
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]+	197.18999	149.2
[M+Na]+	219.17193	159.2
[M+NH4]+	214.21653	158.8
[M+K]+	235.14587	151.1
[M-H]-	195.17543	150.6
[M+Na-2H]-	217.15738	153.9
[M]+	196.18216	151.0
[M]-	196.18326	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe