CID 45356731

Methyl imidazo[1,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

COC(=O)C1=CN2C=CN=C2N=C1

InChI

InChI=1S/C8H7N3O2/c1-13-7(12)6-4-10-8-9-2-3-11(8)5-6/h2-5H,1H3

InChIKey

UXVKCJJXFHSBHE-UHFFFAOYSA-N

Compound name

methyl imidazo[1,2-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 177.05383 Da
Monoisotopic Mass: 1.0
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]+	178.06111	134.0
[M+Na]+	200.04305	147.5
[M+NH4]+	195.08765	141.4
[M+K]+	216.01699	143.9
[M-H]-	176.04655	133.8
[M+Na-2H]-	198.02850	140.5
[M]+	177.05328	135.7
[M]-	177.05438	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe