CID 12946332

Methyl 2-methylpyrimidine-4-carboxylate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c1-5-8-4-3-6(9-5)7(10)11-2/h3-4H,1-2H3

InChIKey

HEUBBCMIYRXETJ-UHFFFAOYSA-N

Compound name

methyl 2-methylpyrimidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 152.05858 Da
Monoisotopic Mass: 0.8
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]+	153.06586	129.7
[M+Na]+	175.04780	142.8
[M+NH4]+	170.09240	137.1
[M+K]+	191.02174	137.6
[M-H]-	151.05130	130.0
[M+Na-2H]-	173.03325	136.5
[M]+	152.05803	131.5
[M]-	152.05913	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe