CID 146049728

Methyl 3-[2-amino-n-methyl-3-(methylsulfanyl)propanamido]propanoate hydrochloride

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CN(CCC(=O)OC)C(=O)C(CSC)N
InChI
InChI=1S/C9H18N2O3S/c1-11(5-4-8(12)14-2)9(13)7(10)6-15-3/h7H,4-6,10H2,1-3H3
InChIKey
FTABRKADMFDBOE-UHFFFAOYSA-N
Compound name
methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10382 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 155.0
[M+Na]+ 257.09304 160.1
[M+NH4]+ 252.13764 160.5
[M+K]+ 273.06698 156.0
[M-H]- 233.09654 153.4
[M+Na-2H]- 255.07849 155.0
[M]+ 234.10327 155.1
[M]- 234.10437 155.1
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.