CID 41742

Dtxsid00884701

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CC(C)CC(=CCCC(C)(C=C)O)C

InChI

InChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3

InChIKey

XVNDKDXSDQQJTO-UHFFFAOYSA-N

Compound name

3,7,9-trimethyldeca-1,6-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 351
Patents: 196.18271 Da
Monoisotopic Mass: 4.0
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]+	197.18999	151.2
[M+Na]+	219.17193	155.9
[M-H]-	195.17543	149.5
[M+NH4]+	214.21653	170.3
[M+K]+	235.14587	153.6
[M+H-H2O]+	179.17997	147.0
[M+HCOO]-	241.18091	168.4
[M+CH3COO]-	255.19656	187.1
[M+Na-2H]-	217.15738	152.4
[M]+	196.18216	151.5
[M]-	196.18326	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe