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
2
Annotation Hits

0
References

312
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

No literature data available for this compound.

Patent stripe

patents stripe