CID 9877599

206989-41-5

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

C1CC2=C(NC1)N=C(C=C2)CCCN

InChI

InChI=1S/C11H17N3/c12-7-1-4-10-6-5-9-3-2-8-13-11(9)14-10/h5-6H,1-4,7-8,12H2,(H,13,14)

InChIKey

BWMYVZPZPGAOPC-UHFFFAOYSA-N

Compound name

3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 191.14224 Da
Monoisotopic Mass: 1.3
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]+	192.149516	143.7
[M+Na]+	214.131458	149.4
[M-H]-	190.134964	142.7
[M+NH4]+	209.176063	160.3
[M+K]+	230.105398	144.9
[M+H-H2O]+	174.139500	135.9
[M+HCOO]-	236.140441	160.9
[M+CH3COO]-	250.156091	154.2
[M+Na-2H]-	212.116906	150.4
[M]+	191.14169142	138.1
[M]-	191.14278858	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe