CID 247385

Dodecyl methanesulfonate

Structural Information

Molecular Formula

C₁₃H₂₈O₃S

SMILES

CCCCCCCCCCCCOS(=O)(=O)C

InChI

InChI=1S/C13H28O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-17(2,14)15/h3-13H2,1-2H3

InChIKey

RUFILLDBEINNQV-UHFFFAOYSA-N

Compound name

dodecyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 264.1759 Da
Monoisotopic Mass: 5.2
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]+	265.18318	166.0
[M+Na]+	287.16512	173.7
[M+NH4]+	282.20972	171.9
[M+K]+	303.13906	165.7
[M-H]-	263.16862	163.8
[M+Na-2H]-	285.15057	166.6
[M]+	264.17535	166.7
[M]-	264.17645	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe