CID 3136025

N-(2-hydroxypropyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(C)O
InChI
InChI=1S/C10H15NO3S/c1-8-3-5-10(6-4-8)15(13,14)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3
InChIKey
RQOBKAQJZDLRFJ-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

229.07727 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.084546 148.5
[M+Na]+ 252.066488 155.5
[M-H]- 228.069994 151.0
[M+NH4]+ 247.111093 166.1
[M+K]+ 268.040428 152.4
[M+H-H2O]+ 212.074530 142.7
[M+HCOO]- 274.075471 165.3
[M+CH3COO]- 288.091121 187.3
[M+Na-2H]- 250.051936 151.9
[M]+ 229.07672142 150.4
[M]- 229.07781858 150.4
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