CID 26768

14618-65-6

Structural Information

Molecular Formula
C4H8N2O2S
SMILES
C(C(=O)N)SCC(=O)N
InChI
InChI=1S/C4H8N2O2S/c5-3(7)1-9-2-4(6)8/h1-2H2,(H2,5,7)(H2,6,8)
InChIKey
KQNFZEVUCSXNTH-UHFFFAOYSA-N
Compound name
2-(2-amino-2-oxoethyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1528
Patents

148.03065 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03793 129.3
[M+Na]+ 171.01987 135.3
[M-H]- 147.02337 128.6
[M+NH4]+ 166.06447 149.4
[M+K]+ 186.99381 134.0
[M+H-H2O]+ 131.02791 123.5
[M+HCOO]- 193.02885 147.4
[M+CH3COO]- 207.04450 177.3
[M+Na-2H]- 169.00532 129.9
[M]+ 148.03010 128.1
[M]- 148.03120 128.1
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