CID 22464480

1795188-95-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

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

InChI

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

InChIKey

RLGSUSDCGRWFLG-UHFFFAOYSA-N

Compound name

(3-methylsulfonylpyridin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.0463 Da
Monoisotopic Mass: -1.0
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]+	187.05358	138.0
[M+Na]+	209.03552	149.0
[M+NH4]+	204.08012	145.3
[M+K]+	225.00946	142.5
[M-H]-	185.03902	138.7
[M+Na-2H]-	207.02097	143.5
[M]+	186.04575	140.0
[M]-	186.04685	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe