CID 82416461

933687-79-7

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

CN1CCCC2C1CNCC2

InChI

InChI=1S/C9H18N2/c1-11-6-2-3-8-4-5-10-7-9(8)11/h8-10H,2-7H2,1H3

InChIKey

YZQLPYYBDJRSHV-UHFFFAOYSA-N

Compound name

1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 154.147 Da
Monoisotopic Mass: 0.8
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]+	155.15428	137.0
[M+Na]+	177.13622	141.2
[M-H]-	153.13972	135.8
[M+NH4]+	172.18082	155.5
[M+K]+	193.11016	138.4
[M+H-H2O]+	137.14426	129.7
[M+HCOO]-	199.14520	150.0
[M+CH3COO]-	213.16085	147.3
[M+Na-2H]-	175.12167	142.0
[M]+	154.14645	128.0
[M]-	154.14755	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe