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]+ 233.024286 147.1
[M+Na]+ 255.006228 156.4
[M-H]- 231.009734 150.0
[M+NH4]+ 250.050833 165.1
[M+K]+ 270.980168 151.6
[M+H-H2O]+ 215.014270 139.7
[M+HCOO]- 277.015211 158.4
[M+CH3COO]- 291.030861 159.2
[M+Na-2H]- 252.991676 150.1
[M]+ 232.01646142 148.1
[M]- 232.01755858 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.