CID 30486

4-aminobutane-1-thiol

Structural Information

Molecular Formula
C4H11NS
SMILES
C(CCS)CN
InChI
InChI=1S/C4H11NS/c5-3-1-2-4-6/h6H,1-5H2
InChIKey
RIRRYXTXJAZPMP-UHFFFAOYSA-N
Compound name
4-aminobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1003
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