CID 796070

4-(6-chloropyrimidin-4-yl)morpholine

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1COCCN1C2=CC(=NC=N2)Cl
InChI
InChI=1S/C8H10ClN3O/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
CFOBQJWOZVMWBR-UHFFFAOYSA-N
Compound name
4-(6-chloropyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

142
Patents

199.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.058516 140.7
[M+Na]+ 222.040458 148.4
[M-H]- 198.043964 142.9
[M+NH4]+ 217.085063 154.8
[M+K]+ 238.014398 145.8
[M+H-H2O]+ 182.048500 131.5
[M+HCOO]- 244.049441 153.1
[M+CH3COO]- 258.065091 152.2
[M+Na-2H]- 220.025906 148.1
[M]+ 199.05069142 138.9
[M]- 199.05178858 138.9
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