CID 21548050

56304-30-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

C1CCC(CC1)C2=CC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C12H15NO3/c14-11-9(12(15)16)6-7-10(13-11)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)(H,15,16)

InChIKey

YDIRGAKEFDXWEE-UHFFFAOYSA-N

Compound name

6-cyclohexyl-2-oxo-1H-pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.1052 Da
Monoisotopic Mass: 2.7
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]+	222.112476	148.2
[M+Na]+	244.094418	153.7
[M-H]-	220.097924	150.3
[M+NH4]+	239.139023	163.3
[M+K]+	260.068358	149.9
[M+H-H2O]+	204.102460	140.9
[M+HCOO]-	266.103401	164.5
[M+CH3COO]-	280.119051	182.4
[M+Na-2H]-	242.079866	150.8
[M]+	221.10465142	142.1
[M]-	221.10574858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe