CID 20521844

Decahydro-1h-cyclohepta[b]pyridine

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC2CCCNC2CC1

InChI

InChI=1S/C10H19N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h9-11H,1-8H2

InChIKey

UZXWVUGEHNQJQS-UHFFFAOYSA-N

Compound name

2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 153.15175 Da
Monoisotopic Mass: 2.5
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]+	154.159026	132.1
[M+Na]+	176.140968	133.6
[M-H]-	152.144474	133.3
[M+NH4]+	171.185573	150.3
[M+K]+	192.114908	134.3
[M+H-H2O]+	136.149010	126.3
[M+HCOO]-	198.149951	145.8
[M+CH3COO]-	212.165601	142.2
[M+Na-2H]-	174.126416	137.2
[M]+	153.15120142	120.0
[M]-	153.15229858	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe