CID 22325875

4-aminobutane-2-thiol hydrochloride

Structural Information

Molecular Formula
C4H11NS
SMILES
CC(CCN)S
InChI
InChI=1S/C4H11NS/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3
InChIKey
IYQCIIHCHIGMLJ-UHFFFAOYSA-N
Compound name
4-aminobutane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
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 120.4
[M+Na]+ 128.05044 127.3
[M-H]- 104.05394 120.6
[M+NH4]+ 123.09504 143.5
[M+K]+ 144.02438 126.5
[M+H-H2O]+ 88.058480 115.6
[M+HCOO]- 150.05942 138.4
[M+CH3COO]- 164.07507 170.0
[M+Na-2H]- 126.03589 122.8
[M]+ 105.06067 120.4
[M]- 105.06177 120.4
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