CID 519158

3-decanol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCCCCC(CC)O

InChI

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

InChIKey

ICEQLCZWZXUUIJ-UHFFFAOYSA-N

Compound name

decan-3-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1
References: 2456
Patents: 158.16707 Da
Monoisotopic Mass: 3.9
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	141.6
[M+Na]+	181.15629	146.6
[M-H]-	157.15979	139.9
[M+NH4]+	176.20089	162.1
[M+K]+	197.13023	145.3
[M+H-H2O]+	141.16433	136.8
[M+HCOO]-	203.16527	161.8
[M+CH3COO]-	217.18092	179.5
[M+Na-2H]-	179.14174	144.8
[M]+	158.16652	143.3
[M]-	158.16762	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe