CID 126982616

2,4-dichloro-6-(cyclopentyloxy)pyrimidine

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
C1CCC(C1)OC2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H10Cl2N2O/c10-7-5-8(13-9(11)12-7)14-6-3-1-2-4-6/h5-6H,1-4H2
InChIKey
LWCXQPCCTVVIHY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-cyclopentyloxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01701 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02429 145.3
[M+Na]+ 255.00623 159.5
[M+NH4]+ 250.05083 154.4
[M+K]+ 270.98017 153.5
[M-H]- 231.00973 148.0
[M+Na-2H]- 252.99168 152.8
[M]+ 232.01646 148.6
[M]- 232.01756 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.