CID 13048727

1822434-44-5

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
CCNC(=O)C(CSC)NC(=O)C
InChI
InChI=1S/C8H16N2O2S/c1-4-9-8(12)7(5-13-3)10-6(2)11/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKey
MGYFMGITJVIKQQ-UHFFFAOYSA-N
Compound name
2-acetamido-N-ethyl-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.09325 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.100526 147.6
[M+Na]+ 227.082468 151.8
[M-H]- 203.085974 147.5
[M+NH4]+ 222.127073 166.2
[M+K]+ 243.056408 150.8
[M+H-H2O]+ 187.090510 141.2
[M+HCOO]- 249.091451 164.7
[M+CH3COO]- 263.107101 190.1
[M+Na-2H]- 225.067916 147.2
[M]+ 204.09270142 149.2
[M]- 204.09379858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe