CID 219978

1,1-bis(ethylsulfanyl)hexane-2,3,4,5-tetrol

Structural Information

Molecular Formula
C10H22O4S2
SMILES
CCSC(C(C(C(C(C)O)O)O)O)SCC
InChI
InChI=1S/C10H22O4S2/c1-4-15-10(16-5-2)9(14)8(13)7(12)6(3)11/h6-14H,4-5H2,1-3H3
InChIKey
MKFOCLXLRFQETN-UHFFFAOYSA-N
Compound name
1,1-bis(ethylsulfanyl)hexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

270.09595 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10323 159.7
[M+Na]+ 293.08517 162.9
[M+NH4]+ 288.12977 164.4
[M+K]+ 309.05911 159.1
[M-H]- 269.08867 155.1
[M+Na-2H]- 291.07062 156.5
[M]+ 270.09540 159.2
[M]- 270.09650 159.2
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