CID 14151440

Ns00095006

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17123 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.178506 179.7
[M+Na]+ 365.160448 182.9
[M-H]- 341.163954 176.9
[M+NH4]+ 360.205053 192.6
[M+K]+ 381.134388 181.2
[M+H-H2O]+ 325.168490 172.8
[M+HCOO]- 387.169431 194.4
[M+CH3COO]- 401.185081 205.0
[M+Na-2H]- 363.145896 180.7
[M]+ 342.17068142 192.2
[M]- 342.17177858 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

No patent data available for this compound.