CID 6366560

Undec-8-enol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC/C=C/CCCCCCCO

InChI

InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,12H,2,5-11H2,1H3/b4-3+

InChIKey

HPILEMWCRGJTJG-ONEGZZNKSA-N

Compound name

(E)-undec-8-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 170.16707 Da
Monoisotopic Mass: 3.7
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]+	171.174346	144.1
[M+Na]+	193.156288	149.2
[M-H]-	169.159794	142.2
[M+NH4]+	188.200893	164.2
[M+K]+	209.130228	146.7
[M+H-H2O]+	153.164330	139.2
[M+HCOO]-	215.165271	165.2
[M+CH3COO]-	229.180921	180.1
[M+Na-2H]-	191.141736	148.1
[M]+	170.16652142	146.1
[M]-	170.16761858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe