CID 24703017

2-amino-2-(4-methanesulfonylphenyl)propanoic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)C)(C(=O)O)N
InChI
InChI=1S/C10H13NO4S/c1-10(11,9(12)13)7-3-5-8(6-4-7)16(2,14)15/h3-6H,11H2,1-2H3,(H,12,13)
InChIKey
OXYKPEXSYCFJGQ-UHFFFAOYSA-N
Compound name
2-amino-2-(4-methylsulfonylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05653 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 153.0
[M+Na]+ 266.04575 161.4
[M+NH4]+ 261.09035 158.5
[M+K]+ 282.01969 157.4
[M-H]- 242.04925 151.8
[M+Na-2H]- 264.03120 156.4
[M]+ 243.05598 154.0
[M]- 243.05708 154.0
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.