CID 3016287

41608-75-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

216.05687 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.064146 143.3
[M+Na]+ 239.046088 151.3
[M-H]- 215.049594 147.1
[M+NH4]+ 234.090693 161.6
[M+K]+ 255.020028 149.2
[M+H-H2O]+ 199.054130 137.2
[M+HCOO]- 261.055071 162.3
[M+CH3COO]- 275.070721 189.5
[M+Na-2H]- 237.031536 146.8
[M]+ 216.05632142 144.7
[M]- 216.05741858 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