CID 25918918

5-bromo-2-(cyclopropylmethoxy)nicotinic acid

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₃

SMILES

C1CC1COC2=C(C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C10H10BrNO3/c11-7-3-8(10(13)14)9(12-4-7)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)

InChIKey

KVQVQIRJMFHYOP-UHFFFAOYSA-N

Compound name

5-bromo-2-(cyclopropylmethoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 270.9844 Da
Monoisotopic Mass: 2.1
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]+	271.991676	151.4
[M+Na]+	293.973618	164.3
[M-H]-	269.977124	159.0
[M+NH4]+	289.018223	165.2
[M+K]+	309.947558	152.5
[M+H-H2O]+	253.981660	150.2
[M+HCOO]-	315.982601	170.8
[M+CH3COO]-	329.998251	194.0
[M+Na-2H]-	291.959066	157.2
[M]+	270.98385142	172.6
[M]-	270.98494858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.