CID 95454

2-propanol, 1,1'-thiobis-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
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

literature stripe

Patent stripe

patents stripe