CID 15462234

332884-21-6

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C12H16N2O2/c15-11(16)5-1-4-10-7-6-9-3-2-8-13-12(9)14-10/h6-7H,1-5,8H2,(H,13,14)(H,15,16)

InChIKey

YGHYFKOIEJCYHJ-UHFFFAOYSA-N

Compound name

4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 220.12119 Da
Monoisotopic Mass: 1.7
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]+	221.128466	150.4
[M+Na]+	243.110408	155.8
[M-H]-	219.113914	148.5
[M+NH4]+	238.155013	165.4
[M+K]+	259.084348	151.6
[M+H-H2O]+	203.118450	142.8
[M+HCOO]-	265.119391	164.8
[M+CH3COO]-	279.135041	184.0
[M+Na-2H]-	241.095856	155.4
[M]+	220.12064142	146.4
[M]-	220.12173858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe