CID 3692570

304460-78-4

Structural Information

Molecular Formula

C₁₁H₁₇NO₃S

SMILES

CCC(CO)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3

InChIKey

LJSHGNALHZTWHB-UHFFFAOYSA-N

Compound name

N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 243.09291 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.10019	154.2
[M+Na]+	266.08213	163.5
[M+NH4]+	261.12673	160.8
[M+K]+	282.05607	157.3
[M-H]-	242.08563	154.5
[M+Na-2H]-	264.06758	158.4
[M]+	243.09236	155.9
[M]-	243.09346	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe