CID 21330641

Decahydro-1h-1-benzazepine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC2C(C1)CCCCN2

InChI

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

InChIKey

CFCCVPRUHJVDLO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 153.15175 Da
Monoisotopic Mass: 2.4
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	133.9
[M+Na]+	176.14097	142.2
[M+NH4]+	171.18557	142.8
[M+K]+	192.11491	137.1
[M-H]-	152.14447	135.8
[M+Na-2H]-	174.12642	138.3
[M]+	153.15120	135.4
[M]-	153.15230	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe