CID 3058694

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

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

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

InChI

InChI=1S/C11H14N2/c1-2-7-13-8-5-11-10(9-13)4-3-6-12-11/h2-4,6H,1,5,7-9H2

InChIKey

MHWQLNZJURVJNJ-UHFFFAOYSA-N

Compound name

6-prop-2-enyl-7,8-dihydro-5H-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.11569 Da
Monoisotopic Mass: 1.4
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]+	175.12297	138.4
[M+Na]+	197.10491	145.6
[M-H]-	173.10841	139.4
[M+NH4]+	192.14951	157.0
[M+K]+	213.07885	141.9
[M+H-H2O]+	157.11295	130.6
[M+HCOO]-	219.11389	156.9
[M+CH3COO]-	233.12954	181.1
[M+Na-2H]-	195.09036	146.1
[M]+	174.11514	135.6
[M]-	174.11624	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe