CID 93089

25446-78-0

Structural Information

Molecular Formula
C19H40O7S
SMILES
CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C19H40O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14-15-24-16-17-25-18-19-26-27(20,21)22/h2-19H2,1H3,(H,20,21,22)
InChIKey
GLTCJAJTWUOWFS-UHFFFAOYSA-N
Compound name
2-[2-(2-tridecoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4019
Patents

412.24948 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.25676 200.8
[M+Na]+ 435.23870 201.8
[M-H]- 411.24220 197.0
[M+NH4]+ 430.28330 208.1
[M+K]+ 451.21264 199.0
[M+H-H2O]+ 395.24674 193.0
[M+HCOO]- 457.24768 223.2
[M+CH3COO]- 471.26333 219.5
[M+Na-2H]- 433.22415 199.6
[M]+ 412.24893 215.2
[M]- 412.25003 215.2
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