CID 520592

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

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

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

InChI

InChI=1S/C9H18O/c1-8(2)6-5-7-9(3,4)10/h10H,1,5-7H2,2-4H3

InChIKey

ICHVSYBMEODCOO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 142.13577 Da
Monoisotopic Mass: 2.6
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	134.6
[M+Na]+	165.12499	144.0
[M+NH4]+	160.16959	142.0
[M+K]+	181.09893	139.1
[M-H]-	141.12849	133.1
[M+Na-2H]-	163.11044	137.4
[M]+	142.13522	135.3
[M]-	142.13632	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe