CID 3062896

99356-90-8

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=CC(=NC=N1)N(C)C

InChI

InChI=1S/C7H11N3/c1-6-4-7(10(2)3)9-5-8-6/h4-5H,1-3H3

InChIKey

YEBKRKAIWOXVDB-UHFFFAOYSA-N

Compound name

N,N,6-trimethylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 137.09529 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]+	138.10257	127.4
[M+Na]+	160.08451	136.0
[M-H]-	136.08801	130.1
[M+NH4]+	155.12911	147.2
[M+K]+	176.05845	135.7
[M+H-H2O]+	120.09255	120.0
[M+HCOO]-	182.09349	151.6
[M+CH3COO]-	196.10914	180.1
[M+Na-2H]-	158.06996	135.8
[M]+	137.09474	128.5
[M]-	137.09584	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe