CID 81802590

240132-49-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC#C

InChI

InChI=1S/C11H13NO2S/c1-4-9-12(3)15(13,14)11-7-5-10(2)6-8-11/h1,5-8H,9H2,2-3H3

InChIKey

DQMSNFFZKULPDM-UHFFFAOYSA-N

Compound name

N,4-dimethyl-N-prop-2-ynylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 223.0667 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]+	224.07398	145.4
[M+Na]+	246.05592	156.3
[M+NH4]+	241.10052	149.7
[M+K]+	262.02986	146.5
[M-H]-	222.05942	139.2
[M+Na-2H]-	244.04137	148.5
[M]+	223.06615	144.8
[M]-	223.06725	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe