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

0
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 123.9
[M+Na]+ 161.00652 131.3
[M-H]- 137.01002 122.9
[M+NH4]+ 156.05112 145.6
[M+K]+ 176.98046 128.4
[M+H-H2O]+ 121.01456 119.3
[M+HCOO]- 183.01550 135.5
[M+CH3COO]- 197.03115 169.6
[M+Na-2H]- 158.99197 125.2
[M]+ 138.01675 126.6
[M]- 138.01785 126.6
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.