CID 22450265

2-(methylsulfanyl)propan-1-amine

Structural Information

Molecular Formula
C4H11NS
SMILES
CC(CN)SC
InChI
InChI=1S/C4H11NS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3
InChIKey
PJHRMQPEENZCPK-UHFFFAOYSA-N
Compound name
2-methylsulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1211
Patents

105.06122 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.06850 120.6
[M+Na]+ 128.05044 129.9
[M+NH4]+ 123.09504 129.8
[M+K]+ 144.02438 123.0
[M-H]- 104.05394 121.4
[M+Na-2H]- 126.03589 124.1
[M]+ 105.06067 122.4
[M]- 105.06177 122.4
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