CID 525488

3-(methylsulfanyl)propane-1-thiol

Structural Information

Molecular Formula
C4H10S2
SMILES
CSCCCS
InChI
InChI=1S/C4H10S2/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey
GLSINCGJNDJREL-UHFFFAOYSA-N
Compound name
3-methylsulfanylpropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

122.02239 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.02967 119.7
[M+Na]+ 145.01161 127.7
[M-H]- 121.01511 120.3
[M+NH4]+ 140.05621 142.8
[M+K]+ 160.98555 125.6
[M+H-H2O]+ 105.01965 115.1
[M+HCOO]- 167.02059 132.5
[M+CH3COO]- 181.03624 170.6
[M+Na-2H]- 142.99706 121.3
[M]+ 122.02184 122.8
[M]- 122.02294 122.8
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