CID 3058698

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

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CCCCCCN1CCC2=C(C1)C=CC=N2

InChI

InChI=1S/C14H22N2/c1-2-3-4-5-10-16-11-8-14-13(12-16)7-6-9-15-14/h6-7,9H,2-5,8,10-12H2,1H3

InChIKey

MVINEJKFZSGOGA-UHFFFAOYSA-N

Compound name

6-hexyl-7,8-dihydro-5H-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.1783 Da
Monoisotopic Mass: 3.1
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]+	219.185576	153.4
[M+Na]+	241.167518	159.0
[M-H]-	217.171024	153.8
[M+NH4]+	236.212123	170.2
[M+K]+	257.141458	155.1
[M+H-H2O]+	201.175560	144.9
[M+HCOO]-	263.176501	170.6
[M+CH3COO]-	277.192151	191.0
[M+Na-2H]-	239.152966	159.4
[M]+	218.17775142	152.3
[M]-	218.17884858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe