CID 5144362

4-(5-bromopyrimidin-2-yl)morpholine

Structural Information

Molecular Formula
C8H10BrN3O
SMILES
C1COCCN1C2=NC=C(C=N2)Br
InChI
InChI=1S/C8H10BrN3O/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey
CEXBOCXKAGPRHD-UHFFFAOYSA-N
Compound name
4-(5-bromopyrimidin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

230
Patents

243.00072 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00800 143.0
[M+Na]+ 265.98994 153.2
[M-H]- 241.99344 148.3
[M+NH4]+ 261.03454 158.7
[M+K]+ 281.96388 143.9
[M+H-H2O]+ 225.99798 141.0
[M+HCOO]- 287.99892 158.4
[M+CH3COO]- 302.01457 156.5
[M+Na-2H]- 263.97539 152.2
[M]+ 243.00017 158.7
[M]- 243.00127 158.7
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