CID 84801925

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

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1COCC(N1)C2=C(C=CN=C2)Br
InChI
InChI=1S/C9H11BrN2O/c10-8-1-2-11-5-7(8)9-6-13-4-3-12-9/h1-2,5,9,12H,3-4,6H2
InChIKey
JJXSRFBHPVQRRR-UHFFFAOYSA-N
Compound name
3-(4-bromo-3-pyridinyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.012756 145.2
[M+Na]+ 264.994698 154.4
[M-H]- 240.998204 150.4
[M+NH4]+ 260.039303 161.5
[M+K]+ 280.968638 144.2
[M+H-H2O]+ 225.002740 143.8
[M+HCOO]- 287.003681 160.0
[M+CH3COO]- 301.019331 158.2
[M+Na-2H]- 262.980146 153.3
[M]+ 242.00493142 158.9
[M]- 242.00602858 158.9
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

No patent data available for this compound.