CID 122546

Disodium 2-sulfomyristate

Structural Information

Molecular Formula
C14H28O5S
SMILES
CCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13(14(15)16)20(17,18)19/h13H,2-12H2,1H3,(H,15,16)(H,17,18,19)
InChIKey
WOHIIBNOBPKOGA-UHFFFAOYSA-N
Compound name
2-sulfotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1442
Patents

308.16574 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17302 174.4
[M+Na]+ 331.15496 177.4
[M-H]- 307.15846 170.5
[M+NH4]+ 326.19956 188.0
[M+K]+ 347.12890 174.1
[M+H-H2O]+ 291.16300 168.6
[M+HCOO]- 353.16394 185.3
[M+CH3COO]- 367.17959 199.2
[M+Na-2H]- 329.14041 172.2
[M]+ 308.16519 180.2
[M]- 308.16629 180.2
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