CID 66730566

2089377-22-8

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C8H12N2O2S/c1-6(2)7-4-3-5-10-8(7)13(9,11)12/h3-6H,1-2H3,(H2,9,11,12)

InChIKey

JRUFWBQJCFTNOK-UHFFFAOYSA-N

Compound name

3-propan-2-ylpyridine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 200.06195 Da
Monoisotopic Mass: 0.9
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]+	201.069226	140.9
[M+Na]+	223.051168	149.4
[M-H]-	199.054674	143.3
[M+NH4]+	218.095773	158.9
[M+K]+	239.025108	146.7
[M+H-H2O]+	183.059210	134.7
[M+HCOO]-	245.060151	157.7
[M+CH3COO]-	259.075801	183.6
[M+Na-2H]-	221.036616	144.5
[M]+	200.06140142	142.0
[M]-	200.06249858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe