CID 106904

67846-05-3

Structural Information

Molecular Formula
C23H44O7S
SMILES
CCCCCCCCC(CCCCCCCCC(=O)OCC1CCCO1)OS(=O)(=O)O
InChI
InChI=1S/C23H44O7S/c1-2-3-4-5-8-11-15-21(30-31(25,26)27)16-12-9-6-7-10-13-18-23(24)29-20-22-17-14-19-28-22/h21-22H,2-20H2,1H3,(H,25,26,27)
InChIKey
RSGHKPFQIPMFQD-UHFFFAOYSA-N
Compound name
oxolan-2-ylmethyl 10-sulfooxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.28076 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.28804 218.0
[M+Na]+ 487.26998 216.6
[M-H]- 463.27348 217.5
[M+NH4]+ 482.31458 226.0
[M+K]+ 503.24392 214.7
[M+H-H2O]+ 447.27802 210.8
[M+HCOO]- 509.27896 226.8
[M+CH3COO]- 523.29461 227.9
[M+Na-2H]- 485.25543 212.8
[M]+ 464.28021 227.9
[M]- 464.28131 227.9
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.