CID 77134633

66621-75-8

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC1=NC(=NC=C1)CC(=O)OC

InChI

InChI=1S/C8H10N2O2/c1-6-3-4-9-7(10-6)5-8(11)12-2/h3-4H,5H2,1-2H3

InChIKey

HDGASKZYPAQNTF-UHFFFAOYSA-N

Compound name

methyl 2-(4-methylpyrimidin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.07423 Da
Monoisotopic Mass: 0.4
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	134.2
[M+Na]+	189.06345	147.0
[M+NH4]+	184.10805	141.4
[M+K]+	205.03739	141.6
[M-H]-	165.06695	134.5
[M+Na-2H]-	187.04890	140.7
[M]+	166.07368	135.9
[M]-	166.07478	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.