CID 165759130

En300-2004512

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]+ 244.06381 150.9
[M+Na]+ 266.04575 158.1
[M-H]- 242.04925 154.3
[M+NH4]+ 261.09035 168.1
[M+K]+ 282.01969 156.1
[M+H-H2O]+ 226.05379 144.8
[M+HCOO]- 288.05473 167.9
[M+CH3COO]- 302.07038 190.6
[M+Na-2H]- 264.03120 152.8
[M]+ 243.05598 153.7
[M]- 243.05708 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.