CID 25745

36468-16-3

Structural Information

Molecular Formula
C18H38O7S
SMILES
CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C18H38O7S/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H,19,20,21)
InChIKey
SBSKZXOUCHIBBW-UHFFFAOYSA-N
Compound name
2-[2-(2-dodecoxyethoxy)ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

33561
Patents

398.23383 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24111 196.6
[M+Na]+ 421.22305 198.1
[M-H]- 397.22655 193.0
[M+NH4]+ 416.26765 204.3
[M+K]+ 437.19699 195.5
[M+H-H2O]+ 381.23109 189.0
[M+HCOO]- 443.23203 219.8
[M+CH3COO]- 457.24768 216.6
[M+Na-2H]- 419.20850 195.8
[M]+ 398.23328 210.6
[M]- 398.23438 210.6
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