CID 22062940

478055-40-2

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

C1CC2=C(NC1)N=C(C=C2)CCCCC(=O)O

InChI

InChI=1S/C13H18N2O2/c16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11/h7-8H,1-6,9H2,(H,14,15)(H,16,17)

InChIKey

BREOKHDXONYFEN-UHFFFAOYSA-N

Compound name

5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 234.13683 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]+	235.144106	154.8
[M+Na]+	257.126048	159.9
[M-H]-	233.129554	152.7
[M+NH4]+	252.170653	169.3
[M+K]+	273.099988	155.4
[M+H-H2O]+	217.134090	147.0
[M+HCOO]-	279.135031	169.0
[M+CH3COO]-	293.150681	187.0
[M+Na-2H]-	255.111496	159.4
[M]+	234.13628142	151.3
[M]-	234.13737858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe