CID 117306

6-octen-1-ol, 6-ethyl-3-methyl-

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCC(=CC)CCC(C)CCO

InChI

InChI=1S/C11H22O/c1-4-11(5-2)7-6-10(3)8-9-12/h4,10,12H,5-9H2,1-3H3

InChIKey

GTLKSTALFRGBQG-UHFFFAOYSA-N

Compound name

6-ethyl-3-methyloct-6-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 49
Patents: 170.16707 Da
Monoisotopic Mass: 3.6
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]+	171.17435	143.9
[M+Na]+	193.15629	152.8
[M+NH4]+	188.20089	151.0
[M+K]+	209.13023	147.0
[M-H]-	169.15979	142.7
[M+Na-2H]-	191.14174	145.8
[M]+	170.16652	144.5
[M]-	170.16762	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe