CID 102922

2,2'-thiobis(1-propanol)

Structural Information

Molecular Formula
C6H14O2S
SMILES
CC(CO)SC(C)CO
InChI
InChI=1S/C6H14O2S/c1-5(3-7)9-6(2)4-8/h5-8H,3-4H2,1-2H3
InChIKey
DUFCZJRMDGJQRR-UHFFFAOYSA-N
Compound name
2-(1-hydroxypropan-2-ylsulfanyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

150.07146 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07874 133.0
[M+Na]+ 173.06068 138.7
[M-H]- 149.06418 130.6
[M+NH4]+ 168.10528 153.3
[M+K]+ 189.03462 137.3
[M+H-H2O]+ 133.06872 128.5
[M+HCOO]- 195.06966 146.6
[M+CH3COO]- 209.08531 171.4
[M+Na-2H]- 171.04613 133.1
[M]+ 150.07091 134.1
[M]- 150.07201 134.1
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