CID 3023544

C13-alkyl-2-ethoxy-sulfate

Structural Information

Molecular Formula
C17H36O6S
SMILES
CCCCCCCCCCCCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C17H36O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-14-15-22-16-17-23-24(18,19)20/h2-17H2,1H3,(H,18,19,20)
InChIKey
GPHSQVBETPHGQE-UHFFFAOYSA-N
Compound name
2-(2-tridecoxyethoxy)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

368.22327 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23055 190.3
[M+Na]+ 391.21249 192.4
[M-H]- 367.21599 187.0
[M+NH4]+ 386.25709 202.3
[M+K]+ 407.18643 189.5
[M+H-H2O]+ 351.22053 183.1
[M+HCOO]- 413.22147 203.8
[M+CH3COO]- 427.23712 211.7
[M+Na-2H]- 389.19794 189.6
[M]+ 368.22272 202.5
[M]- 368.22382 202.5
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