CID 97436

3-aminopropanethiol

Structural Information

Molecular Formula
C3H9NS
SMILES
C(CN)CS
InChI
InChI=1S/C3H9NS/c4-2-1-3-5/h5H,1-4H2
InChIKey
IYGAMTQMILRCCI-UHFFFAOYSA-N
Compound name
3-aminopropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6432
Patents

91.04557 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.052846 115.1
[M+Na]+ 114.03479 122.8
[M-H]- 90.038294 115.5
[M+NH4]+ 109.07939 138.9
[M+K]+ 130.00873 121.8
[M+H-H2O]+ 74.042830 110.6
[M+HCOO]- 136.04377 134.6
[M+CH3COO]- 150.05942 166.1
[M+Na-2H]- 112.02024 119.3
[M]+ 91.045021 115.4
[M]- 91.046119 115.4
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