CID 90505

24447-99-2

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CNC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C7H9NO3S/c1-8-6-2-4-7(5-3-6)12(9,10)11/h2-5,8H,1H3,(H,9,10,11)
InChIKey
QRAXZXPSAGQUNP-UHFFFAOYSA-N
Compound name
4-(methylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

592
Patents

187.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 137.0
[M+Na]+ 210.01954 147.6
[M+NH4]+ 205.06414 144.5
[M+K]+ 225.99348 141.4
[M-H]- 186.02304 137.7
[M+Na-2H]- 208.00499 142.5
[M]+ 187.02977 139.0
[M]- 187.03087 139.0
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