CID 10487815

Ethyl 2-chloropyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

CCOC(=O)C1=CN=C(N=C1)Cl

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3

InChIKey

IEMKQRSOAOPKRJ-UHFFFAOYSA-N

Compound name

ethyl 2-chloropyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1140
Patents: 186.0196 Da
Monoisotopic Mass: 1.5
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]+	187.02688	134.5
[M+Na]+	209.00882	148.4
[M+NH4]+	204.05342	142.1
[M+K]+	224.98276	142.4
[M-H]-	185.01232	134.9
[M+Na-2H]-	206.99427	141.4
[M]+	186.01905	136.7
[M]-	186.02015	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe