CID 1400243

2,3,4,5-tetrahydro-1h-benzo[d]azepine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CNCCC2=CC=CC=C21

InChI

InChI=1S/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2

InChIKey

MWVMYAWMFTVYED-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydro-1H-3-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1960
Patents: 147.1048 Da
Monoisotopic Mass: 1.8
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]+	148.11208	128.7
[M+Na]+	170.09402	139.6
[M+NH4]+	165.13862	137.8
[M+K]+	186.06796	134.0
[M-H]-	146.09752	131.1
[M+Na-2H]-	168.07947	135.8
[M]+	147.10425	130.9
[M]-	147.10535	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe