CID 362688

109065-68-1

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCC(=O)O)N
InChI
InChI=1S/C8H10N2O4S/c9-6-2-1-3-7(4-6)15(13,14)10-5-8(11)12/h1-4,10H,5,9H2,(H,11,12)
InChIKey
BNQOCIJJZIHWLK-UHFFFAOYSA-N
Compound name
2-[(3-aminophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.03613 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 145.7
[M+Na]+ 253.025348 152.5
[M-H]- 229.028854 147.6
[M+NH4]+ 248.069953 162.1
[M+K]+ 268.999288 149.3
[M+H-H2O]+ 213.033390 139.4
[M+HCOO]- 275.034331 163.7
[M+CH3COO]- 289.049981 187.2
[M+Na-2H]- 251.010796 149.7
[M]+ 230.03558142 145.6
[M]- 230.03667858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.