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 147.1
[M+Na]+ 255.00623 156.4
[M-H]- 231.00973 150.0
[M+NH4]+ 250.05083 165.1
[M+K]+ 270.98017 151.6
[M+H-H2O]+ 215.01427 139.7
[M+HCOO]- 277.01521 158.4
[M+CH3COO]- 291.03086 159.2
[M+Na-2H]- 252.99168 150.1
[M]+ 232.01646 148.1
[M]- 232.01756 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.