CID 14595821

5-pyrimidinamine, 2,4,6-trimethoxy- (9ci)

Structural Information

Molecular Formula

C₇H₁₁N₃O₃

SMILES

COC1=C(C(=NC(=N1)OC)OC)N

InChI

InChI=1S/C7H11N3O3/c1-11-5-4(8)6(12-2)10-7(9-5)13-3/h8H2,1-3H3

InChIKey

OGKCPJNRQBTBPF-UHFFFAOYSA-N

Compound name

2,4,6-trimethoxypyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 185.08005 Da
Monoisotopic Mass: 0.4
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]+	186.08733	137.4
[M+Na]+	208.06927	149.4
[M+NH4]+	203.11387	143.8
[M+K]+	224.04321	145.1
[M-H]-	184.07277	137.8
[M+Na-2H]-	206.05472	142.8
[M]+	185.07950	138.9
[M]-	185.08060	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe