CID 170456003

4-[amino(hydroxy)methyl]benzenesulfonamide

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
C1=CC(=CC=C1C(N)O)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4,7,10H,8H2,(H2,9,11,12)
InChIKey
WEDBMHUWPBUDRN-UHFFFAOYSA-N
Compound name
4-[amino(hydroxy)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04121 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.048486 139.5
[M+Na]+ 225.030428 146.8
[M-H]- 201.033934 141.2
[M+NH4]+ 220.075033 157.1
[M+K]+ 241.004368 143.5
[M+H-H2O]+ 185.038470 133.7
[M+HCOO]- 247.039411 156.8
[M+CH3COO]- 261.055061 182.3
[M+Na-2H]- 223.015876 142.7
[M]+ 202.04066142 137.4
[M]- 202.04175858 137.4
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.