CID 170455451

4-(aminomethyl)-2,3-dihydroxybenzenesulfonamide

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
C1=CC(=C(C(=C1CN)O)O)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O4S/c8-3-4-1-2-5(14(9,12)13)7(11)6(4)10/h1-2,10-11H,3,8H2,(H2,9,12,13)
InChIKey
PFMQMWULTFVCLL-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2,3-dihydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03613 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043406 142.4
[M+Na]+ 241.025348 150.8
[M-H]- 217.028854 143.1
[M+NH4]+ 236.069953 159.0
[M+K]+ 256.999288 146.8
[M+H-H2O]+ 201.033390 136.8
[M+HCOO]- 263.034331 159.2
[M+CH3COO]- 277.049981 184.0
[M+Na-2H]- 239.010796 145.0
[M]+ 218.03558142 141.1
[M]- 218.03667858 141.1
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

No patent data available for this compound.