CID 14595821

16097-43-1

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	137.1
[M+Na]+	208.06927	147.2
[M-H]-	184.07277	138.6
[M+NH4]+	203.11387	154.4
[M+K]+	224.04321	146.6
[M+H-H2O]+	168.07731	129.8
[M+HCOO]-	230.07825	160.8
[M+CH3COO]-	244.09390	184.6
[M+Na-2H]-	206.05472	143.6
[M]+	185.07950	141.0
[M]-	185.08060	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe