CID 182004

30614-21-2

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CC1=C(N=C(N=C1OC(=O)N(C)C)N)C

InChI

InChI=1S/C9H14N4O2/c1-5-6(2)11-8(10)12-7(5)15-9(14)13(3)4/h1-4H3,(H2,10,11,12)

InChIKey

DIWQKLUHIVULSN-UHFFFAOYSA-N

Compound name

(2-amino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 210.11168 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]+	211.11896	146.4
[M+Na]+	233.10090	157.1
[M+NH4]+	228.14550	152.4
[M+K]+	249.07484	153.4
[M-H]-	209.10440	147.3
[M+Na-2H]-	231.08635	151.2
[M]+	210.11113	147.8
[M]-	210.11223	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.