CID 44145154

82168-32-9

Structural Information

Molecular Formula
C12H24O3S3
SMILES
CC(CC1SC(SC(S1)CC(C)O)CC(C)O)O
InChI
InChI=1S/C12H24O3S3/c1-7(13)4-10-16-11(5-8(2)14)18-12(17-10)6-9(3)15/h7-15H,4-6H2,1-3H3
InChIKey
DVDHIMUPRQMZKW-UHFFFAOYSA-N
Compound name
1-[4,6-bis(2-hydroxypropyl)-1,3,5-trithian-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09603 164.6
[M+Na]+ 335.07797 165.5
[M-H]- 311.08147 160.8
[M+NH4]+ 330.12257 176.8
[M+K]+ 351.05191 159.4
[M+H-H2O]+ 295.08601 159.1
[M+HCOO]- 357.08695 159.6
[M+CH3COO]- 371.10260 198.7
[M+Na-2H]- 333.06342 158.5
[M]+ 312.08820 161.4
[M]- 312.08930 161.4
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.