CID 6441135

Undecavertol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCC(/C(=C/CC)/C)O

InChI

InChI=1S/C11H22O/c1-4-6-7-9-11(12)10(3)8-5-2/h8,11-12H,4-7,9H2,1-3H3/b10-8+

InChIKey

WSTQLNQRVZNEDV-CSKARUKUSA-N

Compound name

(E)-4-methyldec-3-en-5-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 5494
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	145.1
[M+Na]+	193.15629	149.8
[M-H]-	169.15979	143.4
[M+NH4]+	188.20089	165.1
[M+K]+	209.13023	148.2
[M+H-H2O]+	153.16433	140.4
[M+HCOO]-	215.16527	164.3
[M+CH3COO]-	229.18092	181.7
[M+Na-2H]-	191.14174	146.5
[M]+	170.16652	145.7
[M]-	170.16762	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe