CID 240230

2,6-dimethyl-5-hepten-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC(CCC=C(C)C)CO

InChI

InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3

InChIKey

WFZFXUZFKAOTRR-UHFFFAOYSA-N

Compound name

2,6-dimethylhept-5-en-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 129
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.143046	135.8
[M+Na]+	165.124988	141.3
[M-H]-	141.128494	134.4
[M+NH4]+	160.169593	156.9
[M+K]+	181.098928	140.2
[M+H-H2O]+	125.133030	131.4
[M+HCOO]-	187.133971	155.6
[M+CH3COO]-	201.149621	175.7
[M+Na-2H]-	163.110436	138.3
[M]+	142.13522142	135.7
[M]-	142.13631858	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe