CID 3052695

O-toluenesulfonamide, 4-amino-n-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
CC1=C(C=CC(=C1)N)S(=O)(=O)NCCO
InChI
InChI=1S/C9H14N2O3S/c1-7-6-8(10)2-3-9(7)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5,10H2,1H3
InChIKey
XZKDKBLWOVZGFR-UHFFFAOYSA-N
Compound name
4-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07251 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.079786 147.7
[M+Na]+ 253.061728 155.2
[M-H]- 229.065234 149.8
[M+NH4]+ 248.106333 164.7
[M+K]+ 269.035668 151.3
[M+H-H2O]+ 213.069770 141.6
[M+HCOO]- 275.070711 165.9
[M+CH3COO]- 289.086361 189.2
[M+Na-2H]- 251.047176 151.4
[M]+ 230.07196142 148.2
[M]- 230.07305858 148.2
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.