CID 18279

Disodium 2-sulfolaurate

Structural Information

Molecular Formula
C12H24O5S
SMILES
CCCCCCCCCCC(C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H24O5S/c1-2-3-4-5-6-7-8-9-10-11(12(13)14)18(15,16)17/h11H,2-10H2,1H3,(H,13,14)(H,15,16,17)
InChIKey
MRTWZIXSCCETHN-UHFFFAOYSA-N
Compound name
2-sulfododecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1462
Patents

280.13443 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14171 165.7
[M+Na]+ 303.12365 169.5
[M-H]- 279.12715 162.2
[M+NH4]+ 298.16825 180.4
[M+K]+ 319.09759 166.7
[M+H-H2O]+ 263.13169 160.2
[M+HCOO]- 325.13263 177.2
[M+CH3COO]- 339.14828 193.2
[M+Na-2H]- 301.10910 164.4
[M]+ 280.13388 170.8
[M]- 280.13498 170.8
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