CID 8174

1-decanol

Structural Information

Molecular Formula

C₁₀H₂₂O

SMILES

CCCCCCCCCCO

InChI

InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

InChIKey

MWKFXSUHUHTGQN-UHFFFAOYSA-N

Compound name

decan-1-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 311
References: 104375
Patents: 158.16707 Da
Monoisotopic Mass: 4.6
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]+	159.174346	140.9
[M+Na]+	181.156288	146.1
[M-H]-	157.159794	139.1
[M+NH4]+	176.200893	161.5
[M+K]+	197.130228	144.5
[M+H-H2O]+	141.164330	136.1
[M+HCOO]-	203.165271	162.2
[M+CH3COO]-	217.180921	178.7
[M+Na-2H]-	179.141736	145.4
[M]+	158.16652142	143.3
[M]-	158.16761858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe