CID 129944597

3-(6-bromopyridin-2-yl)morpholine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 145.2
[M+Na]+ 264.99470 154.4
[M-H]- 240.99820 150.4
[M+NH4]+ 260.03930 161.5
[M+K]+ 280.96864 144.2
[M+H-H2O]+ 225.00274 143.8
[M+HCOO]- 287.00368 160.0
[M+CH3COO]- 301.01933 158.2
[M+Na-2H]- 262.98015 153.3
[M]+ 242.00493 158.9
[M]- 242.00603 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.