CID 107044

Sulfated isopropyl oleate

Structural Information

Molecular Formula
C21H42O6S
SMILES
CCCCCCCCC(CCCCCCCCC(=O)OC(C)C)OS(=O)(=O)O
InChI
InChI=1S/C21H42O6S/c1-4-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24,25)
InChIKey
WTXGRDDEGGBKSK-UHFFFAOYSA-N
Compound name
propan-2-yl 10-sulfooxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

422.2702 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.27748 205.6
[M+Na]+ 445.25942 208.6
[M+NH4]+ 440.30402 218.5
[M+K]+ 461.23336 214.2
[M-H]- 421.26292 207.0
[M+Na-2H]- 443.24487 201.6
[M]+ 422.26965 204.2
[M]- 422.27075 204.2
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

patents stripe