CID 165756203

N-[(methylcarbamoyl)methyl]-3-(methylsulfanyl)propanamide

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CNC(=O)CNC(=O)CCSC
InChI
InChI=1S/C7H14N2O2S/c1-8-7(11)5-9-6(10)3-4-12-2/h3-5H2,1-2H3,(H,8,11)(H,9,10)
InChIKey
HJYRQTLHZXEPMV-UHFFFAOYSA-N
Compound name
N-[2-(methylamino)-2-oxoethyl]-3-methylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0776 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 142.5
[M+Na]+ 213.06682 147.4
[M-H]- 189.07032 142.5
[M+NH4]+ 208.11142 161.8
[M+K]+ 229.04076 146.1
[M+H-H2O]+ 173.07486 136.3
[M+HCOO]- 235.07580 161.0
[M+CH3COO]- 249.09145 186.2
[M+Na-2H]- 211.05227 143.8
[M]+ 190.07705 144.4
[M]- 190.07815 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.