CID 9900830

11-eicosenol

Structural Information

Molecular Formula

C₂₀H₄₀O

SMILES

CCCCCCCC/C=C/CCCCCCCCCCO

InChI

InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h9-10,21H,2-8,11-20H2,1H3/b10-9+

InChIKey

QYOZAXQSDUAPDS-MDZDMXLPSA-N

Compound name

(E)-icos-11-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 221
Patents: 296.30792 Da
Monoisotopic Mass: 8.5
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]+	297.31520	184.4
[M+Na]+	319.29714	185.8
[M-H]-	295.30064	180.7
[M+NH4]+	314.34174	199.4
[M+K]+	335.27108	180.8
[M+H-H2O]+	279.30518	177.6
[M+HCOO]-	341.30612	202.5
[M+CH3COO]-	355.32177	207.2
[M+Na-2H]-	317.28259	183.5
[M]+	296.30737	189.8
[M]-	296.30847	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe