CID 61727017

933696-86-7

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1CCC(C1)N2C=C(C=CC2=O)C(=O)O

InChI

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

InChIKey

TYXUBSDWTYEPMH-UHFFFAOYSA-N

Compound name

1-cyclopentyl-6-oxopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 207.08954 Da
Monoisotopic Mass: 0.9
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	143.2
[M+Na]+	230.07876	150.5
[M-H]-	206.08226	147.4
[M+NH4]+	225.12336	161.7
[M+K]+	246.05270	147.8
[M+H-H2O]+	190.08680	136.5
[M+HCOO]-	252.08774	163.7
[M+CH3COO]-	266.10339	181.3
[M+Na-2H]-	228.06421	145.3
[M]+	207.08899	140.8
[M]-	207.09009	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe