CID 1714697

4-(2-chloropyrimidin-4-yl)morpholine

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1COCCN1C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H10ClN3O/c9-8-10-2-1-7(11-8)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKey
BBBSLVBHDCHLIG-UHFFFAOYSA-N
Compound name
4-(2-chloropyrimidin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

199.05124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.5
[M+Na]+ 222.04046 155.3
[M+NH4]+ 217.08506 148.9
[M+K]+ 238.01440 148.4
[M-H]- 198.04396 144.4
[M+Na-2H]- 220.02591 148.5
[M]+ 199.05069 144.0
[M]- 199.05179 144.0
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

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