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: 22
Patents: 285.9953 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.002576	153.6
[M+Na]+	308.984518	162.9
[M-H]-	284.988024	159.0
[M+NH4]+	304.029123	168.1
[M+K]+	324.958458	153.3
[M+H-H2O]+	268.992560	151.9
[M+HCOO]-	330.993501	167.6
[M+CH3COO]-	345.009151	192.3
[M+Na-2H]-	306.969966	159.4
[M]+	285.99475142	169.4
[M]-	285.99584858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe