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: 4
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]+	224.073976	155.9
[M+Na]+	246.055918	166.1
[M-H]-	222.059424	160.1
[M+NH4]+	241.100523	173.1
[M+K]+	262.029858	163.1
[M+H-H2O]+	206.063960	143.9
[M+HCOO]-	268.064901	169.6
[M+CH3COO]-	282.080551	198.7
[M+Na-2H]-	244.041366	158.0
[M]+	223.06615142	154.0
[M]-	223.06724858	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe