CID 11717

598-36-7

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
3
Annotation Hits

7
References

715
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 115.9
[M+Na]+ 114.034788 123.2
[M-H]- 90.038294 116.3
[M+NH4]+ 109.079393 139.5
[M+K]+ 130.008728 122.7
[M+H-H2O]+ 74.042830 111.4
[M+HCOO]- 136.043771 134.3
[M+CH3COO]- 150.059421 166.9
[M+Na-2H]- 112.020236 118.8
[M]+ 91.04502142 115.5
[M]- 91.04611858 115.5
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