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]+ 205.10053 147.6
[M+Na]+ 227.08247 151.8
[M-H]- 203.08597 147.5
[M+NH4]+ 222.12707 166.2
[M+K]+ 243.05641 150.8
[M+H-H2O]+ 187.09051 141.2
[M+HCOO]- 249.09145 164.7
[M+CH3COO]- 263.10710 190.1
[M+Na-2H]- 225.06792 147.2
[M]+ 204.09270 149.2
[M]- 204.09380 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