CID 77743

3-(methylthio)propylamine

Structural Information

Molecular Formula
C4H11NS
SMILES
CSCCCN
InChI
InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N
Compound name
3-methylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

1093
Patents

105.06122 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 119.9
[M+Na]+ 128.05044 129.6
[M+NH4]+ 123.09504 129.2
[M+K]+ 144.02438 121.8
[M-H]- 104.05394 120.9
[M+Na-2H]- 126.03589 123.8
[M]+ 105.06067 121.9
[M]- 105.06177 121.9
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