CID 3015762

1-undecen-3-ol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCCCCCCC(C=C)O

InChI

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

InChIKey

NAOMHUDQUVEWEF-UHFFFAOYSA-N

Compound name

undec-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 40
Patents: 170.16707 Da
Monoisotopic Mass: 4.2
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	144.6
[M+Na]+	193.156288	149.4
[M-H]-	169.159794	142.7
[M+NH4]+	188.200893	164.5
[M+K]+	209.130228	147.3
[M+H-H2O]+	153.164330	139.7
[M+HCOO]-	215.165271	164.7
[M+CH3COO]-	229.180921	181.6
[M+Na-2H]-	191.141736	147.2
[M]+	170.16652142	145.9
[M]-	170.16761858	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe