CID 720020

(5-bromo-3-pyridyl)-morpholino-methanone

Structural Information

Molecular Formula
C10H11BrN2O2
SMILES
C1COCCN1C(=O)C2=CC(=CN=C2)Br
InChI
InChI=1S/C10H11BrN2O2/c11-9-5-8(6-12-7-9)10(14)13-1-3-15-4-2-13/h5-7H,1-4H2
InChIKey
DGXAEBFHFVGRSH-UHFFFAOYSA-N
Compound name
(5-bromopyridin-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

270.0004 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00768 150.6
[M+Na]+ 292.98962 159.8
[M-H]- 268.99312 157.1
[M+NH4]+ 288.03422 166.4
[M+K]+ 308.96356 150.6
[M+H-H2O]+ 252.99766 148.9
[M+HCOO]- 314.99860 166.0
[M+CH3COO]- 329.01425 190.9
[M+Na-2H]- 290.97507 157.6
[M]+ 269.99985 166.4
[M]- 270.00095 166.4
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

patents stripe