CID 83180811

Ethyl 2-bromo-4-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₈H₉BrN₂O₂

SMILES

CCOC(=O)C1=CN=C(N=C1C)Br

InChI

InChI=1S/C8H9BrN2O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3

InChIKey

YBFOJUWCXCEMTI-UHFFFAOYSA-N

Compound name

ethyl 2-bromo-4-methylpyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 243.98474 Da
Monoisotopic Mass: 1.8
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]+	244.99202	143.2
[M+Na]+	266.97396	146.8
[M+NH4]+	262.01856	146.8
[M+K]+	282.94790	147.6
[M-H]-	242.97746	142.2
[M+Na-2H]-	264.95941	146.2
[M]+	243.98419	142.1
[M]-	243.98529	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe