CID 174409

6-octen-3-ol, 4-ethenyl-4,7-dimethyl-

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCC(C(C)(CC=C(C)C)C=C)O

InChI

InChI=1S/C12H22O/c1-6-11(13)12(5,7-2)9-8-10(3)4/h7-8,11,13H,2,6,9H2,1,3-5H3

InChIKey

BLLRZXYXUWMGHJ-UHFFFAOYSA-N

Compound name

4-ethenyl-4,7-dimethyloct-6-en-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 195
Patents: 182.16707 Da
Monoisotopic Mass: 3.9
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]+	183.174346	146.6
[M+Na]+	205.156288	151.7
[M-H]-	181.159794	145.0
[M+NH4]+	200.200893	166.2
[M+K]+	221.130228	149.6
[M+H-H2O]+	165.164330	142.5
[M+HCOO]-	227.165271	164.1
[M+CH3COO]-	241.180921	184.1
[M+Na-2H]-	203.141736	148.3
[M]+	182.16652142	146.5
[M]-	182.16761858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe