CID 11586699

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

336
Patents

233.01227 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01955 146.2
[M+Na]+ 256.00149 154.9
[M-H]- 232.00499 147.9
[M+NH4]+ 251.04609 159.6
[M+K]+ 271.97543 151.3
[M+H-H2O]+ 216.00953 137.5
[M+HCOO]- 278.01047 153.3
[M+CH3COO]- 292.02612 157.2
[M+Na-2H]- 253.98694 152.0
[M]+ 233.01172 145.7
[M]- 233.01282 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

No literature data available for this compound.

Patent stripe

patents stripe