CID 2772068

4-(4,6-dichloropyrimidin-2-yl)morpholine

Structural Information

Molecular Formula
C8H9Cl2N3O
SMILES
C1COCCN1C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H9Cl2N3O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2
InChIKey
OXCOCPRVQUEIOL-UHFFFAOYSA-N
Compound name
4-(4,6-dichloropyrimidin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

308
Patents

233.01227 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.019546 146.2
[M+Na]+ 256.001488 154.9
[M-H]- 232.004994 147.9
[M+NH4]+ 251.046093 159.6
[M+K]+ 271.975428 151.3
[M+H-H2O]+ 216.009530 137.5
[M+HCOO]- 278.010471 153.3
[M+CH3COO]- 292.026121 157.2
[M+Na-2H]- 253.986936 152.0
[M]+ 233.01172142 145.7
[M]- 233.01281858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe