CID 62490513

1486307-09-8

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CCOC(=O)C(C1=CN=CN=C1)C(=O)OCC
InChI
InChI=1S/C11H14N2O4/c1-3-16-10(14)9(11(15)17-4-2)8-5-12-7-13-6-8/h5-7,9H,3-4H2,1-2H3
InChIKey
MSFHREOHYRTZDW-UHFFFAOYSA-N
Compound name
diethyl 2-pyrimidin-5-ylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.9
[M+Na]+ 261.084568 158.2
[M-H]- 237.088074 152.5
[M+NH4]+ 256.129173 166.5
[M+K]+ 277.058508 157.9
[M+H-H2O]+ 221.092610 143.8
[M+HCOO]- 283.093551 171.6
[M+CH3COO]- 297.109201 190.3
[M+Na-2H]- 259.070016 155.7
[M]+ 238.09480142 155.9
[M]- 238.09589858 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.