CID 23394007

5-chloro-2-ethoxypyrimidine

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

CCOC1=NC=C(C=N1)Cl

InChI

InChI=1S/C6H7ClN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3

InChIKey

NEJKLBJNRWKKFV-UHFFFAOYSA-N

Compound name

5-chloro-2-ethoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 158.02469 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]+	159.03197	127.6
[M+Na]+	181.01391	142.5
[M+NH4]+	176.05851	136.4
[M+K]+	196.98785	135.4
[M-H]-	157.01741	129.0
[M+Na-2H]-	178.99936	135.8
[M]+	158.02414	130.4
[M]-	158.02524	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe