CID 11717

1-amino-2-propanethiol hydrochloride

Structural Information

Molecular Formula
C3H9NS
SMILES
CC(CN)S
InChI
InChI=1S/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3
InChIKey
MHJPNBAEWSRKBK-UHFFFAOYSA-N
Compound name
1-aminopropane-2-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

480
Patents

91.04557 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.052846 116.3
[M+Na]+ 114.03479 125.8
[M+NH4]+ 109.07939 125.6
[M+K]+ 130.00873 119.1
[M-H]- 90.038294 117.1
[M+Na-2H]- 112.02024 120.0
[M]+ 91.045021 118.1
[M]- 91.046119 118.1
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