CID 66557862

4-(3-bromopyridin-4-yl)morpholine

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1COCCN1C2=C(C=NC=C2)Br
InChI
InChI=1S/C9H11BrN2O/c10-8-7-11-2-1-9(8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
InChIKey
BAWWNTFBRLFENB-UHFFFAOYSA-N
Compound name
4-(3-bromopyridin-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

242.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 144.2
[M+Na]+ 264.99470 153.9
[M-H]- 240.99820 150.8
[M+NH4]+ 260.03930 161.3
[M+K]+ 280.96864 144.7
[M+H-H2O]+ 225.00274 142.8
[M+HCOO]- 287.00368 160.6
[M+CH3COO]- 301.01933 158.0
[M+Na-2H]- 262.98015 152.9
[M]+ 242.00493 159.7
[M]- 242.00603 159.7
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