CID 69811

3-sulfanylpropanamide

Structural Information

Molecular Formula
C3H7NOS
SMILES
C(CS)C(=O)N
InChI
InChI=1S/C3H7NOS/c4-3(5)1-2-6/h6H,1-2H2,(H2,4,5)
InChIKey
JLSJEUQOXVVCPN-UHFFFAOYSA-N
Compound name
3-sulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

913
Patents

105.02483 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.03211 118.2
[M+Na]+ 128.01405 125.7
[M-H]- 104.01755 118.5
[M+NH4]+ 123.05865 141.1
[M+K]+ 143.98799 124.9
[M+H-H2O]+ 88.022090 113.5
[M+HCOO]- 150.02303 137.0
[M+CH3COO]- 164.03868 167.9
[M+Na-2H]- 125.99950 121.1
[M]+ 105.02428 118.5
[M]- 105.02538 118.5
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