CID 14470811

Dimethyl pyrimidine-2,5-dicarboxylate

Structural Information

Molecular Formula

C₈H₈N₂O₄

SMILES

COC(=O)C1=CN=C(N=C1)C(=O)OC

InChI

InChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3

InChIKey

BBRSRYSYHOLQRT-UHFFFAOYSA-N

Compound name

dimethyl pyrimidine-2,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 196.0484 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]+	197.05568	139.3
[M+Na]+	219.03762	150.9
[M+NH4]+	214.08222	144.9
[M+K]+	235.01156	147.3
[M-H]-	195.04112	138.1
[M+Na-2H]-	217.02307	144.4
[M]+	196.04785	140.2
[M]-	196.04895	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe