CID 99868

5-decanol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCCC(CCCC)O

InChI

InChI=1S/C10H22O/c1-3-5-7-9-10(11)8-6-4-2/h10-11H,3-9H2,1-2H3

InChIKey

SZMNDOUFZGODBR-UHFFFAOYSA-N

Compound name

decan-5-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1012
Patents: 158.16707 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]+	159.17435	139.6
[M+Na]+	181.15629	149.0
[M+NH4]+	176.20089	147.3
[M+K]+	197.13023	142.7
[M-H]-	157.15979	138.9
[M+Na-2H]-	179.14174	142.3
[M]+	158.16652	140.5
[M]-	158.16762	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe