CID 165814723

Lithium(1+) 5-[2-(tert-butoxy)-2-oxoethoxy]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(C)(C)OC(=O)COC1=CN=C(N=C1)C(=O)O
InChI
InChI=1S/C11H14N2O5/c1-11(2,3)18-8(14)6-17-7-4-12-9(10(15)16)13-5-7/h4-5H,6H2,1-3H3,(H,15,16)
InChIKey
RWIMGAGPKUKTSX-UHFFFAOYSA-N
Compound name
5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.0
[M+Na]+ 277.07949 164.5
[M+NH4]+ 272.12409 158.9
[M+K]+ 293.05343 162.5
[M-H]- 253.08299 152.0
[M+Na-2H]- 275.06494 158.2
[M]+ 254.08972 155.0
[M]- 254.09082 155.0
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.