CID 16046078

920490-07-9

Structural Information

Molecular Formula

C₉H₁₃N₃O₂S

SMILES

CN(C)C1=NC(=NC(=C1)C=C)S(=O)(=O)C

InChI

InChI=1S/C9H13N3O2S/c1-5-7-6-8(12(2)3)11-9(10-7)15(4,13)14/h5-6H,1H2,2-4H3

InChIKey

LWXYVFFCCMAZFC-UHFFFAOYSA-N

Compound name

6-ethenyl-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 227.07285 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]+	228.08013	147.7
[M+Na]+	250.06207	157.4
[M-H]-	226.06557	150.9
[M+NH4]+	245.10667	164.4
[M+K]+	266.03601	154.9
[M+H-H2O]+	210.07011	140.6
[M+HCOO]-	272.07105	165.2
[M+CH3COO]-	286.08670	192.9
[M+Na-2H]-	248.04752	151.7
[M]+	227.07230	152.1
[M]-	227.07340	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe