CID 4657001

N-(pyridin-2-ylmethyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CS(=O)(=O)NCC1=CC=CC=N1

InChI

InChI=1S/C7H10N2O2S/c1-12(10,11)9-6-7-4-2-3-5-8-7/h2-5,9H,6H2,1H3

InChIKey

COZJGYDYFGRADG-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 186.0463 Da
Monoisotopic Mass: -0.2
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]+	187.053576	136.4
[M+Na]+	209.035518	144.9
[M-H]-	185.039024	139.1
[M+NH4]+	204.080123	155.1
[M+K]+	225.009458	142.2
[M+H-H2O]+	169.043560	130.1
[M+HCOO]-	231.044501	155.3
[M+CH3COO]-	245.060151	179.3
[M+Na-2H]-	207.020966	143.3
[M]+	186.04575142	138.4
[M]-	186.04684858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe