CID 1895595

N-(2-hydroxyethyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCO
InChI
InChI=1S/C9H13NO3S/c1-8-2-4-9(5-3-8)14(12,13)10-6-7-11/h2-5,10-11H,6-7H2,1H3
InChIKey
SIIWTWXTZDDNTI-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

251
Patents

215.06161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 144.1
[M+Na]+ 238.05083 151.8
[M-H]- 214.05433 146.7
[M+NH4]+ 233.09543 162.3
[M+K]+ 254.02477 148.4
[M+H-H2O]+ 198.05887 138.4
[M+HCOO]- 260.05981 162.2
[M+CH3COO]- 274.07546 183.4
[M+Na-2H]- 236.03628 149.0
[M]+ 215.06106 146.2
[M]- 215.06216 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe