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 155.4
[M+Na]+ 257.09304 159.2
[M-H]- 233.09654 156.0
[M+NH4]+ 252.13764 173.1
[M+K]+ 273.06698 159.5
[M+H-H2O]+ 217.10108 148.5
[M+HCOO]- 279.10202 172.3
[M+CH3COO]- 293.11767 198.0
[M+Na-2H]- 255.07849 153.0
[M]+ 234.10327 159.1
[M]- 234.10437 159.1
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.