CID 109188

Einecs 268-847-0

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1(C2CC(C(C2)C1=C)C3CCCC(C3)O)C

InChI

InChI=1S/C16H26O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h11-15,17H,1,4-9H2,2-3H3

InChIKey

WAOIYASNEPKFIG-UHFFFAOYSA-N

Compound name

3-(5,5-dimethyl-6-methylidene-2-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 234.19836 Da
Monoisotopic Mass: 4.1
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]+	235.205636	159.8
[M+Na]+	257.187578	165.7
[M-H]-	233.191084	164.0
[M+NH4]+	252.232183	184.5
[M+K]+	273.161518	160.7
[M+H-H2O]+	217.195620	155.9
[M+HCOO]-	279.196561	174.7
[M+CH3COO]-	293.212211	191.9
[M+Na-2H]-	255.173026	157.7
[M]+	234.19781142	153.9
[M]-	234.19890858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe