CID 19747191

2h-2-benzazepine

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C1=CC2=CC=CNC=C2C=C1

InChI

InChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8,11H

InChIKey

XUUSYXJGMRQBKQ-UHFFFAOYSA-N

Compound name

2H-2-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 493
Patents: 143.0735 Da
Monoisotopic Mass: 2.1
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]+	144.08078	124.4
[M+Na]+	166.06272	137.8
[M+NH4]+	161.10732	133.6
[M+K]+	182.03666	131.7
[M-H]-	142.06622	127.3
[M+Na-2H]-	164.04817	134.0
[M]+	143.07295	127.3
[M]-	143.07405	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe