CID 70084658

2639456-83-8

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CS(=O)(=O)C1=C(C=CC=N1)CN

InChI

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

InChIKey

PFLNKAQXGHKWTM-UHFFFAOYSA-N

Compound name

(2-methylsulfonyl-3-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 186.0463 Da
Monoisotopic Mass: -0.7
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	136.6
[M+Na]+	209.035518	145.9
[M-H]-	185.039024	139.1
[M+NH4]+	204.080123	155.3
[M+K]+	225.009458	142.8
[M+H-H2O]+	169.043560	130.5
[M+HCOO]-	231.044501	154.8
[M+CH3COO]-	245.060151	179.8
[M+Na-2H]-	207.020966	141.8
[M]+	186.04575142	137.9
[M]-	186.04684858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe