CID 88500953

Sodium dodecyltrioxyethylene sulfate

Structural Information

Molecular Formula
C14H30O7S
SMILES
CCCCCCCCCCCCOOOCCOS(=O)(=O)O
InChI
InChI=1S/C14H30O7S/c1-2-3-4-5-6-7-8-9-10-11-12-18-21-19-13-14-20-22(15,16)17/h2-14H2,1H3,(H,15,16,17)
InChIKey
GSYSMABKMVKXJU-UHFFFAOYSA-N
Compound name
2-dodecoxyperoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.17123 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17851 179.7
[M+Na]+ 365.16045 182.9
[M-H]- 341.16395 176.9
[M+NH4]+ 360.20505 192.6
[M+K]+ 381.13439 181.2
[M+H-H2O]+ 325.16849 172.8
[M+HCOO]- 387.16943 194.4
[M+CH3COO]- 401.18508 205.0
[M+Na-2H]- 363.14590 180.7
[M]+ 342.17068 192.2
[M]- 342.17178 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe