CID 90789

1,7-octadien-3-ol, 2,6-dimethyl-

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,9-11H,1-2,6-7H2,3-4H3

InChIKey

TYASLDPXCAROPT-UHFFFAOYSA-N

Compound name

2,6-dimethylocta-1,7-dien-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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]+	155.143046	138.5
[M+Na]+	177.124988	143.6
[M-H]-	153.128494	137.0
[M+NH4]+	172.169593	158.9
[M+K]+	193.098928	142.1
[M+H-H2O]+	137.133030	134.1
[M+HCOO]-	199.133971	157.2
[M+CH3COO]-	213.149621	179.3
[M+Na-2H]-	175.110436	139.3
[M]+	154.13522142	137.5
[M]-	154.13631858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe