CID 174409

85136-05-6

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

2
Annotation Hits: 0
References: 196
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]+	183.17435	146.6
[M+Na]+	205.15629	151.7
[M-H]-	181.15979	145.0
[M+NH4]+	200.20089	166.2
[M+K]+	221.13023	149.6
[M+H-H2O]+	165.16433	142.5
[M+HCOO]-	227.16527	164.1
[M+CH3COO]-	241.18092	184.1
[M+Na-2H]-	203.14174	148.3
[M]+	182.16652	146.5
[M]-	182.16762	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe