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

167
Patents

264.1759 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.183176 164.7
[M+Na]+ 287.165118 169.7
[M-H]- 263.168624 164.0
[M+NH4]+ 282.209723 182.1
[M+K]+ 303.139058 167.1
[M+H-H2O]+ 247.173160 158.8
[M+HCOO]- 309.174101 180.4
[M+CH3COO]- 323.189751 196.7
[M+Na-2H]- 285.150566 165.6
[M]+ 264.17535142 173.2
[M]- 264.17644858 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe