CID 122430

29636-27-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)N)C(=O)O

InChI

InChI=1S/C8H10N2O4S/c1-10-15(13,14)5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,9H2,1H3,(H,11,12)

InChIKey

QXUKFVKOZBAWHO-UHFFFAOYSA-N

Compound name

2-amino-5-(methylsulfamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 230.03613 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.04341	147.4
[M+Na]+	253.02535	155.6
[M+NH4]+	248.06995	152.9
[M+K]+	268.99929	151.4
[M-H]-	229.02885	147.1
[M+Na-2H]-	251.01080	150.8
[M]+	230.03558	148.5
[M]-	230.03668	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe