CID 108508

60763-76-0

Structural Information

Molecular Formula
C18H38O9S3
SMILES
C(CSCC(COCC(COCC(CSCCO)O)OCC(CSCCO)O)O)O
InChI
InChI=1S/C18H38O9S3/c19-1-4-28-12-15(22)7-25-10-18(27-9-17(24)14-30-6-3-21)11-26-8-16(23)13-29-5-2-20/h15-24H,1-14H2
InChIKey
IARJOBRQDRUJBE-UHFFFAOYSA-N
Compound name
1-[2,3-bis[2-hydroxy-3-(2-hydroxyethylsulfanyl)propoxy]propoxy]-3-(2-hydroxyethylsulfanyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1678 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.17508 202.2
[M+Na]+ 517.15702 196.1
[M-H]- 493.16052 188.9
[M+NH4]+ 512.20162 230.2
[M+K]+ 533.13096 189.8
[M+H-H2O]+ 477.16506 194.1
[M+HCOO]- 539.16600 230.4
[M+CH3COO]- 553.18165 221.9
[M+Na-2H]- 515.14247 196.0
[M]+ 494.16725 207.9
[M]- 494.16835 207.9
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.