CID 7937969

1003740-72-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C10H12N2O2S/c1-8(2)12-15(13,14)10-5-3-4-9(6-10)7-11/h3-6,8,12H,1-2H3

InChIKey

OKKAJYBALWPQJM-UHFFFAOYSA-N

Compound name

3-cyano-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 224.06195 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]+	225.069226	157.0
[M+Na]+	247.051168	166.5
[M-H]-	223.054674	161.0
[M+NH4]+	242.095773	173.6
[M+K]+	263.025108	163.7
[M+H-H2O]+	207.059210	144.5
[M+HCOO]-	269.060151	171.6
[M+CH3COO]-	283.075801	200.4
[M+Na-2H]-	245.036616	159.7
[M]+	224.06140142	153.8
[M]-	224.06249858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe