CID 12276698

Methyl 4,6-dimethylpyrimidine-2-carboxylate

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=CC(=NC(=N1)C(=O)OC)C

InChI

InChI=1S/C8H10N2O2/c1-5-4-6(2)10-7(9-5)8(11)12-3/h4H,1-3H3

InChIKey

OZQKMZUCPKQXSQ-UHFFFAOYSA-N

Compound name

methyl 4,6-dimethylpyrimidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 166.07423 Da
Monoisotopic Mass: 1.2
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]+	167.08151	134.0
[M+Na]+	189.06345	147.3
[M+NH4]+	184.10805	141.2
[M+K]+	205.03739	142.1
[M-H]-	165.06695	134.4
[M+Na-2H]-	187.04890	140.3
[M]+	166.07368	135.9
[M]-	166.07478	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe