CID 297877

N-allyl-4-methylbenzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC=C

InChI

InChI=1S/C10H13NO2S/c1-3-8-11-14(12,13)10-6-4-9(2)5-7-10/h3-7,11H,1,8H2,2H3

InChIKey

SQMCYQSCMCMEIL-UHFFFAOYSA-N

Compound name

4-methyl-N-prop-2-enylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 226
Patents: 211.0667 Da
Monoisotopic Mass: 1.9
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]+	212.07398	146.4
[M+Na]+	234.05592	157.4
[M+NH4]+	229.10052	154.0
[M+K]+	250.02986	149.6
[M-H]-	210.05942	147.8
[M+Na-2H]-	232.04137	152.1
[M]+	211.06615	148.7
[M]-	211.06725	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe