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 151.0
[M+Na]+ 266.04575 158.2
[M-H]- 242.04925 153.1
[M+NH4]+ 261.09035 167.5
[M+K]+ 282.01969 155.4
[M+H-H2O]+ 226.05379 145.6
[M+HCOO]- 288.05473 166.0
[M+CH3COO]- 302.07038 188.4
[M+Na-2H]- 264.03120 154.6
[M]+ 243.05598 152.0
[M]- 243.05708 152.0
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.