CID 165950202

Methyl 2-(diethoxymethyl)pyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄

SMILES

CCOC(C1=NC=C(C=N1)C(=O)OC)OCC

InChI

InChI=1S/C11H16N2O4/c1-4-16-11(17-5-2)9-12-6-8(7-13-9)10(14)15-3/h6-7,11H,4-5H2,1-3H3

InChIKey

JHJPWXIHKZXWQR-UHFFFAOYSA-N

Compound name

methyl 2-(diethoxymethyl)pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.11101 Da
Monoisotopic Mass: 0.5
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]+	241.118286	152.7
[M+Na]+	263.100228	159.8
[M-H]-	239.103734	153.5
[M+NH4]+	258.144833	167.6
[M+K]+	279.074168	159.7
[M+H-H2O]+	223.108270	144.6
[M+HCOO]-	285.109211	173.1
[M+CH3COO]-	299.124861	192.1
[M+Na-2H]-	261.085676	156.9
[M]+	240.11046142	158.5
[M]-	240.11155858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.