CID 80183

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

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

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

InChI

InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h6,10H,5,7H2,1-4H3

InChIKey

URIIVOSFQJXLPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 166
Patents: 142.13577 Da
Monoisotopic Mass: 2.5
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	134.7
[M+Na]+	165.124988	141.0
[M-H]-	141.128494	133.6
[M+NH4]+	160.169593	156.0
[M+K]+	181.098928	139.8
[M+H-H2O]+	125.133030	131.0
[M+HCOO]-	187.133971	154.0
[M+CH3COO]-	201.149621	175.1
[M+Na-2H]-	163.110436	139.2
[M]+	142.13522142	134.8
[M]-	142.13631858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe