CID 420121

2-amino-3-sulfanylpropanamide hydrochloride

Structural Information

Molecular Formula
C3H8N2OS
SMILES
C(C(C(=O)N)N)S
InChI
InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)
InChIKey
YEDNBEGNKOANMB-UHFFFAOYSA-N
Compound name
2-amino-3-sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1590
Patents

120.035736 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04301 122.9
[M+Na]+ 143.02495 129.2
[M-H]- 119.02846 122.5
[M+NH4]+ 138.06956 144.4
[M+K]+ 158.99889 128.3
[M+H-H2O]+ 103.03300 117.6
[M+HCOO]- 165.03394 140.9
[M+CH3COO]- 179.04959 173.1
[M+Na-2H]- 141.01040 123.9
[M]+ 120.03519 120.7
[M]- 120.03628 120.7
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