CID 106910

Isobutyl oleate, sulfated, monoethanolamine salt

Structural Information

Molecular Formula
C22H44O6S
SMILES
CCCCCCCCC(CCCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O
InChI
InChI=1S/C22H44O6S/c1-4-5-6-7-10-13-16-21(28-29(24,25)26)17-14-11-8-9-12-15-18-22(23)27-19-20(2)3/h20-21H,4-19H2,1-3H3,(H,24,25,26)
InChIKey
FOULFUULGDLAOP-UHFFFAOYSA-N
Compound name
2-methylpropyl 10-sulfooxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

436.28586 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.29314 211.5
[M+Na]+ 459.27508 219.8
[M-H]- 435.27858 206.5
[M+NH4]+ 454.31968 219.0
[M+K]+ 475.24902 208.0
[M+H-H2O]+ 419.28312 204.0
[M+HCOO]- 481.28406 222.6
[M+CH3COO]- 495.29971 227.1
[M+Na-2H]- 457.26053 205.4
[M]+ 436.28531 218.3
[M]- 436.28641 218.3
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.