CID 16794020

509101-14-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1CCC(C1)OC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H13NO3/c13-11(14)8-5-6-10(12-7-8)15-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,13,14)

InChIKey

SMEHWQFWKIXXHC-UHFFFAOYSA-N

Compound name

6-cyclopentyloxypyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 207.08954 Da
Monoisotopic Mass: 2.0
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]+	208.09682	144.3
[M+Na]+	230.07876	150.3
[M-H]-	206.08226	148.0
[M+NH4]+	225.12336	162.4
[M+K]+	246.05270	148.3
[M+H-H2O]+	190.08680	137.1
[M+HCOO]-	252.08774	164.6
[M+CH3COO]-	266.10339	180.9
[M+Na-2H]-	228.06421	147.1
[M]+	207.08899	142.2
[M]-	207.09009	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe