CID 165759130

Methyl 2-amino-2-(2-methanesulfonylphenyl)acetate

Structural Information

Molecular Formula
C10H13NO4S
SMILES
COC(=O)C(C1=CC=CC=C1S(=O)(=O)C)N
InChI
InChI=1S/C10H13NO4S/c1-15-10(12)9(11)7-5-3-4-6-8(7)16(2,13)14/h3-6,9H,11H2,1-2H3
InChIKey
BNHSVRGJKMPWTN-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2-methylsulfonylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05653 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.063806 150.9
[M+Na]+ 266.045748 158.1
[M-H]- 242.049254 154.3
[M+NH4]+ 261.090353 168.1
[M+K]+ 282.019688 156.1
[M+H-H2O]+ 226.053790 144.8
[M+HCOO]- 288.054731 167.9
[M+CH3COO]- 302.070381 190.6
[M+Na-2H]- 264.031196 152.8
[M]+ 243.05598142 153.7
[M]- 243.05707858 153.7
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.