CID 20145295

10533-21-8

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC2CCNCCC2C1

InChI

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

InChIKey

GWSJAYHHMPIYJF-UHFFFAOYSA-N

Compound name

2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[d]azepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 153.15175 Da
Monoisotopic Mass: 2.7
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]+	154.15903	132.1
[M+Na]+	176.14097	133.6
[M-H]-	152.14447	133.3
[M+NH4]+	171.18557	150.3
[M+K]+	192.11491	134.3
[M+H-H2O]+	136.14901	126.3
[M+HCOO]-	198.14995	145.8
[M+CH3COO]-	212.16560	142.2
[M+Na-2H]-	174.12642	137.2
[M]+	153.15120	120.0
[M]-	153.15230	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe