CID 61947649

Methyl 2-amino-2-methyl-3-(methylsulfanyl)propanoate hydrochloride

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CC(CSC)(C(=O)OC)N
InChI
InChI=1S/C6H13NO2S/c1-6(7,4-10-3)5(8)9-2/h4,7H2,1-3H3
InChIKey
NEDPEFGKQWKCJW-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-methyl-3-methylsulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0667 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 135.5
[M+Na]+ 186.05592 142.2
[M-H]- 162.05942 135.5
[M+NH4]+ 181.10052 156.3
[M+K]+ 202.02986 141.4
[M+H-H2O]+ 146.06396 130.6
[M+HCOO]- 208.06490 152.2
[M+CH3COO]- 222.08055 178.6
[M+Na-2H]- 184.04137 137.8
[M]+ 163.06615 137.9
[M]- 163.06725 137.9
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.