CID 14928455

Oxesabwvkzuyky-uhfffaoysa-n

Structural Information

Molecular Formula
C17H36O5S
SMILES
CCCCCCCCCCCCCCCOCCOS(=O)(=O)O
InChI
InChI=1S/C17H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22-23(18,19)20/h2-17H2,1H3,(H,18,19,20)
InChIKey
OXESABWVKZUYKY-UHFFFAOYSA-N
Compound name
2-pentadecoxyethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

352.22833 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.235606 187.9
[M+Na]+ 375.217548 190.3
[M-H]- 351.221054 184.7
[M+NH4]+ 370.262153 200.7
[M+K]+ 391.191488 186.7
[M+H-H2O]+ 335.225590 180.9
[M+HCOO]- 397.226531 201.2
[M+CH3COO]- 411.242181 209.8
[M+Na-2H]- 373.202996 186.9
[M]+ 352.22778142 198.7
[M]- 352.22887858 198.7
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