CID 23282835

Decahydro-2,7-naphthyridine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

C1CNCC2C1CCNC2

InChI

InChI=1S/C8H16N2/c1-3-9-5-8-6-10-4-2-7(1)8/h7-10H,1-6H2

InChIKey

XVBWSIVJQVABMM-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a-decahydro-2,7-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 140.13135 Da
Monoisotopic Mass: 0.1
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]+	141.13863	132.8
[M+Na]+	163.12057	136.0
[M-H]-	139.12407	129.9
[M+NH4]+	158.16517	150.7
[M+K]+	179.09451	132.6
[M+H-H2O]+	123.12861	125.7
[M+HCOO]-	185.12955	144.6
[M+CH3COO]-	199.14520	142.5
[M+Na-2H]-	161.10602	138.6
[M]+	140.13080	121.1
[M]-	140.13190	121.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe