CID 71444825

Dtxsid80853576

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(CCC=C(C)C)C1CC(C(=C)C=C1)O

InChI

InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-9,12,14-16H,4-5,7,10H2,1-3H3

InChIKey

UNSGLJWOHGSVLW-UHFFFAOYSA-N

Compound name

5-(6-methylhept-5-en-2-yl)-2-methylidenecyclohex-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.18271 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]+	221.189986	155.0
[M+Na]+	243.171928	159.5
[M-H]-	219.175434	156.4
[M+NH4]+	238.216533	173.1
[M+K]+	259.145868	156.0
[M+H-H2O]+	203.179970	149.6
[M+HCOO]-	265.180911	171.8
[M+CH3COO]-	279.196561	191.2
[M+Na-2H]-	241.157376	153.8
[M]+	220.18216142	151.8
[M]-	220.18325858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe