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

4956
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 115.6
[M+Na]+ 114.03479 125.5
[M+NH4]+ 109.07939 125.1
[M+K]+ 130.00873 117.9
[M-H]- 90.038294 116.7
[M+Na-2H]- 112.02024 119.7
[M]+ 91.045021 117.6
[M]- 91.046119 117.6
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