CID 10943281

3-acetamido-n-(2-sulfanylethyl)propanamide

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CC(=O)NCCC(=O)NCCS
InChI
InChI=1S/C7H14N2O2S/c1-6(10)8-3-2-7(11)9-4-5-12/h12H,2-5H2,1H3,(H,8,10)(H,9,11)
InChIKey
UTUANHHJYGDYCT-UHFFFAOYSA-N
Compound name
3-acetamido-N-(2-sulfanylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0776 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 142.5
[M+Na]+ 213.066818 147.4
[M-H]- 189.070324 142.5
[M+NH4]+ 208.111423 161.8
[M+K]+ 229.040758 146.1
[M+H-H2O]+ 173.074860 136.3
[M+HCOO]- 235.075801 161.0
[M+CH3COO]- 249.091451 186.2
[M+Na-2H]- 211.052266 143.8
[M]+ 190.07705142 144.4
[M]- 190.07814858 144.4
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

No patent data available for this compound.