CID 117285

6-methyl citronellol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(CCC(=C(C)C)C)CCO

InChI

InChI=1S/C11H22O/c1-9(2)11(4)6-5-10(3)7-8-12/h10,12H,5-8H2,1-4H3

InChIKey

GRAHDMHJZMMOHO-UHFFFAOYSA-N

Compound name

3,6,7-trimethyloct-6-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 170.16707 Da
Monoisotopic Mass: 3.8
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	145.2
[M+Na]+	193.15629	149.7
[M-H]-	169.15979	143.5
[M+NH4]+	188.20089	165.1
[M+K]+	209.13023	148.5
[M+H-H2O]+	153.16433	140.5
[M+HCOO]-	215.16527	163.3
[M+CH3COO]-	229.18092	182.6
[M+Na-2H]-	191.14174	145.3
[M]+	170.16652	145.1
[M]-	170.16762	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe