CID 146049802

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

Structural Information

Molecular Formula
C8H16N2O3S
SMILES
CN(CC(=O)OC)C(=O)C(CSC)N
InChI
InChI=1S/C8H16N2O3S/c1-10(4-7(11)13-2)8(12)6(9)5-14-3/h6H,4-5,9H2,1-3H3
InChIKey
FJJMLQQWUYUUTQ-UHFFFAOYSA-N
Compound name
methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08817 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09545 150.9
[M+Na]+ 243.07739 155.2
[M-H]- 219.08089 151.7
[M+NH4]+ 238.12199 169.2
[M+K]+ 259.05133 155.7
[M+H-H2O]+ 203.08543 144.2
[M+HCOO]- 265.08637 168.2
[M+CH3COO]- 279.10202 195.0
[M+Na-2H]- 241.06284 149.0
[M]+ 220.08762 154.3
[M]- 220.08872 154.3
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.