CID 86053359

3-(methyldisulfanyl)propan-1-ol

Structural Information

Molecular Formula
C4H10OS2
SMILES
CSSCCCO
InChI
InChI=1S/C4H10OS2/c1-6-7-4-2-3-5/h5H,2-4H2,1H3
InChIKey
VVWFNTJXKMWEKK-UHFFFAOYSA-N
Compound name
3-(methyldisulfanyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

138.0173 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02458 125.8
[M+Na]+ 161.00652 135.1
[M+NH4]+ 156.05112 135.0
[M+K]+ 176.98046 125.9
[M-H]- 137.01002 125.9
[M+Na-2H]- 158.99197 128.1
[M]+ 138.01675 128.0
[M]- 138.01785 128.0
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