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]+ 164.073976 135.5
[M+Na]+ 186.055918 142.2
[M-H]- 162.059424 135.5
[M+NH4]+ 181.100523 156.3
[M+K]+ 202.029858 141.4
[M+H-H2O]+ 146.063960 130.6
[M+HCOO]- 208.064901 152.2
[M+CH3COO]- 222.080551 178.6
[M+Na-2H]- 184.041366 137.8
[M]+ 163.06615142 137.9
[M]- 163.06724858 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.