CID 67140

4-(dimethylamino)benzenesulfonic acid

Structural Information

Molecular Formula
C8H11NO3S
SMILES
CN(C)C1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C8H11NO3S/c1-9(2)7-3-5-8(6-4-7)13(10,11)12/h3-6H,1-2H3,(H,10,11,12)
InChIKey
KZVBBVPCVQEVQK-UHFFFAOYSA-N
Compound name
4-(dimethylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

129
Patents

201.04596 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.05324 141.2
[M+Na]+ 224.03518 151.7
[M+NH4]+ 219.07978 148.7
[M+K]+ 240.00912 145.9
[M-H]- 200.03868 142.2
[M+Na-2H]- 222.02063 146.7
[M]+ 201.04541 143.3
[M]- 201.04651 143.3
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

patents stripe