CID 90667

24962-75-2

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-8(11)7(9)5-6/h3-5,11H,9H2,1-2H3
InChIKey
BLKRLPPJSAMUNN-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

216.05687 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.3
[M+Na]+ 239.04609 151.3
[M-H]- 215.04959 147.1
[M+NH4]+ 234.09069 161.6
[M+K]+ 255.02003 149.2
[M+H-H2O]+ 199.05413 137.2
[M+HCOO]- 261.05507 162.3
[M+CH3COO]- 275.07072 189.5
[M+Na-2H]- 237.03154 146.8
[M]+ 216.05632 144.7
[M]- 216.05742 144.7
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