CID 169818

2,6-dimethyl-6-hepten-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(CCCC(=C)C)CO

InChI

InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h9-10H,1,4-7H2,2-3H3

InChIKey

GUIBQTSZYLPXBH-UHFFFAOYSA-N

Compound name

2,6-dimethylhept-6-en-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 76
Patents: 142.13577 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]+	143.14305	134.9
[M+Na]+	165.12499	144.2
[M+NH4]+	160.16959	142.4
[M+K]+	181.09893	138.9
[M-H]-	141.12849	133.8
[M+Na-2H]-	163.11044	137.3
[M]+	142.13522	135.6
[M]-	142.13632	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe