CID 18336

Laureth-2 sulfate

Structural Information

Molecular Formula
C16H34O6S
SMILES
CCCCCCCCCCCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C16H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19/h2-16H2,1H3,(H,17,18,19)
InChIKey
CJWXGVNXFJTQFT-UHFFFAOYSA-N
Compound name
2-(2-dodecoxyethoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2894
Patents

354.2076 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21488 186.1
[M+Na]+ 377.19682 188.6
[M-H]- 353.20032 183.0
[M+NH4]+ 372.24142 198.6
[M+K]+ 393.17076 185.9
[M+H-H2O]+ 337.20486 179.0
[M+HCOO]- 399.20580 199.9
[M+CH3COO]- 413.22145 208.8
[M+Na-2H]- 375.18227 185.8
[M]+ 354.20705 197.9
[M]- 354.20815 197.9
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