CID 37153

1,10-decanediol

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

C(CCCCCO)CCCCO

InChI

InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

InChIKey

FOTKYAAJKYLFFN-UHFFFAOYSA-N

Compound name

decane-1,10-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 23
References: 89366
Patents: 174.16199 Da
Monoisotopic Mass: 2.5
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]+	175.16927	144.6
[M+Na]+	197.15121	149.2
[M-H]-	173.15471	141.2
[M+NH4]+	192.19581	163.6
[M+K]+	213.12515	147.1
[M+H-H2O]+	157.15925	139.6
[M+HCOO]-	219.16019	164.5
[M+CH3COO]-	233.17584	177.9
[M+Na-2H]-	195.13666	148.4
[M]+	174.16144	146.4
[M]-	174.16254	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe