CID 13258725

1,5-dodecanediol

Structural Information

Molecular Formula

C₁₂H₂₆O₂

SMILES

CCCCCCCC(CCCCO)O

InChI

InChI=1S/C12H26O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h12-14H,2-11H2,1H3

InChIKey

CRGUYVKXAVIZEB-UHFFFAOYSA-N

Compound name

dodecane-1,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 202.19328 Da
Monoisotopic Mass: 3.4
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]+	203.20056	151.8
[M+Na]+	225.18250	159.8
[M+NH4]+	220.22710	158.3
[M+K]+	241.15644	153.9
[M-H]-	201.18600	149.9
[M+Na-2H]-	223.16795	152.9
[M]+	202.19273	152.1
[M]-	202.19383	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe