CID 17940666

332883-10-0

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

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

InChI

InChI=1S/C9H13N3/c10-6-8-4-3-7-2-1-5-11-9(7)12-8/h3-4H,1-2,5-6,10H2,(H,11,12)

InChIKey

XPEHODLGQDPVTB-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 163.11095 Da
Monoisotopic Mass: 0.5
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]+	164.11823	134.7
[M+Na]+	186.10017	146.6
[M+NH4]+	181.14477	143.4
[M+K]+	202.07411	140.0
[M-H]-	162.10367	136.8
[M+Na-2H]-	184.08562	140.7
[M]+	163.11040	136.7
[M]-	163.11150	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe