CID 549170

2-(methylsulfonyl)pyrimidin-5-amine

Structural Information

Molecular Formula

C₅H₇N₃O₂S

SMILES

CS(=O)(=O)C1=NC=C(C=N1)N

InChI

InChI=1S/C5H7N3O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,6H2,1H3

InChIKey

ZELVQVPQIRFOQU-UHFFFAOYSA-N

Compound name

2-methylsulfonylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 173.0259 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]+	174.03318	133.5
[M+Na]+	196.01512	144.7
[M+NH4]+	191.05972	140.3
[M+K]+	211.98906	138.9
[M-H]-	172.01862	133.4
[M+Na-2H]-	194.00057	139.0
[M]+	173.02535	135.3
[M]-	173.02645	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe