CID 20510270

5388-28-3

Structural Information

Molecular Formula

C₆H₆N₄

SMILES

CNC1=NC=C(C=N1)C#N

InChI

InChI=1S/C6H6N4/c1-8-6-9-3-5(2-7)4-10-6/h3-4H,1H3,(H,8,9,10)

InChIKey

MCZXXEZSKWAWME-UHFFFAOYSA-N

Compound name

2-(methylamino)pyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 134.05925 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]+	135.06653	129.6
[M+Na]+	157.04847	141.8
[M+NH4]+	152.09307	134.2
[M+K]+	173.02241	132.7
[M-H]-	133.05197	124.0
[M+Na-2H]-	155.03392	134.5
[M]+	134.05870	128.8
[M]-	134.05980	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe