CID 25918916

5-bromo-2-morpholinonicotinic acid

Structural Information

Molecular Formula
C10H11BrN2O3
SMILES
C1COCCN1C2=C(C=C(C=N2)Br)C(=O)O
InChI
InChI=1S/C10H11BrN2O3/c11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKey
AXXSSEQZMXBAFK-UHFFFAOYSA-N
Compound name
5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

285.9953 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00258 153.6
[M+Na]+ 308.98452 162.9
[M-H]- 284.98802 159.0
[M+NH4]+ 304.02912 168.1
[M+K]+ 324.95846 153.3
[M+H-H2O]+ 268.99256 151.9
[M+HCOO]- 330.99350 167.6
[M+CH3COO]- 345.00915 192.3
[M+Na-2H]- 306.96997 159.4
[M]+ 285.99475 169.4
[M]- 285.99585 169.4
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