CID 106877

67845-54-9

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

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

InChI

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

InChIKey

PQUSMVMWVMGVGN-UHFFFAOYSA-N

Compound name

5,9-dimethyldeca-4,8-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 182.16707 Da
Monoisotopic Mass: 3.8
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	148.0
[M+Na]+	205.15629	156.4
[M+NH4]+	200.20089	154.6
[M+K]+	221.13023	151.1
[M-H]-	181.15979	146.3
[M+Na-2H]-	203.14174	149.1
[M]+	182.16652	148.3
[M]-	182.16762	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe