CID 86750

4,6-octadien-3-ol, 3,7-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h6-8,11H,5H2,1-4H3

InChIKey

QLRNLHNEZFMRSR-UHFFFAOYSA-N

Compound name

3,7-dimethylocta-4,6-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2106
Patents: 154.13577 Da
Monoisotopic Mass: 2.8
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]+	155.14305	138.6
[M+Na]+	177.12499	147.9
[M+NH4]+	172.16959	145.6
[M+K]+	193.09893	142.6
[M-H]-	153.12849	136.8
[M+Na-2H]-	175.11044	141.0
[M]+	154.13522	139.2
[M]-	154.13632	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe