CID 55276691

2287288-35-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CNCC(C2=CC=CC=C21)N

InChI

InChI=1S/C10H14N2/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4,10,12H,5-7,11H2

InChIKey

HHUBTWXIUNJDHO-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydro-1H-3-benzazepin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 162.11569 Da
Monoisotopic Mass: 0.4
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]+	163.12297	132.4
[M+Na]+	185.10491	142.2
[M+NH4]+	180.14951	140.8
[M+K]+	201.07885	137.3
[M-H]-	161.10841	134.8
[M+Na-2H]-	183.09036	138.5
[M]+	162.11514	134.4
[M]-	162.11624	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe