CID 893960

93129-41-0

Structural Information

Molecular Formula
C10H13NO6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)OC
InChI
InChI=1S/C10H13NO6S/c1-16-8-4-3-7(5-9(8)17-2)18(14,15)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
FMMNLVAUUSTYQG-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

275.04636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05364 158.2
[M+Na]+ 298.03558 166.6
[M+NH4]+ 293.08018 162.9
[M+K]+ 314.00952 162.4
[M-H]- 274.03908 156.7
[M+Na-2H]- 296.02103 161.0
[M]+ 275.04581 159.0
[M]- 275.04691 159.0
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

patents stripe