CID 3058700

5,6,7,8-tetrahydro-6-isoamyl-1,6-naphthyridine

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC(C)CCN1CCC2=C(C1)C=CC=N2

InChI

InChI=1S/C13H20N2/c1-11(2)5-8-15-9-6-13-12(10-15)4-3-7-14-13/h3-4,7,11H,5-6,8-10H2,1-2H3

InChIKey

RDNBJISVKCCHBQ-UHFFFAOYSA-N

Compound name

6-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.16264 Da
Monoisotopic Mass: 2.4
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]+	205.169916	149.1
[M+Na]+	227.151858	154.9
[M-H]-	203.155364	149.8
[M+NH4]+	222.196463	166.5
[M+K]+	243.125798	151.7
[M+H-H2O]+	187.159900	141.0
[M+HCOO]-	249.160841	165.7
[M+CH3COO]-	263.176491	188.8
[M+Na-2H]-	225.137306	154.5
[M]+	204.16209142	147.0
[M]-	204.16318858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe