CID 20836236

85153-72-6

Structural Information

Molecular Formula
C22H44O6S
SMILES
CCCCCCCC/C=C\CCCCCCCCOCCOCCOS(=O)(=O)O
InChI
InChI=1S/C22H44O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27-21-22-28-29(23,24)25/h9-10H,2-8,11-22H2,1H3,(H,23,24,25)/b10-9-
InChIKey
BVVHYBXTHTXHJA-KTKRTIGZSA-N
Compound name
2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.28586 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.293136 210.2
[M+Na]+ 459.275078 210.6
[M-H]- 435.278584 201.9
[M+NH4]+ 454.319683 214.2
[M+K]+ 475.249018 205.8
[M+H-H2O]+ 419.283120 202.2
[M+HCOO]- 481.284061 229.5
[M+CH3COO]- 495.299711 224.9
[M+Na-2H]- 457.260526 207.3
[M]+ 436.28531142 223.5
[M]- 436.28640858 223.5
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

No patent data available for this compound.