CID 60796847

Ethyl 2-amino-2-(4-methanesulfonylphenyl)propanoate hydrochloride

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CCOC(=O)C(C)(C1=CC=C(C=C1)S(=O)(=O)C)N
InChI
InChI=1S/C12H17NO4S/c1-4-17-11(14)12(2,13)9-5-7-10(8-6-9)18(3,15)16/h5-8H,4,13H2,1-3H3
InChIKey
IXVAVRDFQLFUFI-UHFFFAOYSA-N
Compound name
ethyl 2-amino-2-(4-methylsulfonylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 159.9
[M+Na]+ 294.07705 166.8
[M-H]- 270.08055 163.1
[M+NH4]+ 289.12165 176.1
[M+K]+ 310.05099 164.4
[M+H-H2O]+ 254.08509 153.9
[M+HCOO]- 316.08603 175.7
[M+CH3COO]- 330.10168 196.2
[M+Na-2H]- 292.06250 163.0
[M]+ 271.08728 163.4
[M]- 271.08838 163.4
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.