CID 118793

35232-96-3

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

CN1CC2=CC=CC=C2C3=CC=CC=C3C1

InChI

InChI=1S/C15H15N/c1-16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-16/h2-9H,10-11H2,1H3

InChIKey

HPEXVHVTTFAFRF-UHFFFAOYSA-N

Compound name

6-methyl-5,7-dihydrobenzo[d][2]benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 209.12045 Da
Monoisotopic Mass: 3.0
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]+	210.12773	144.0
[M+Na]+	232.10967	151.6
[M-H]-	208.11317	149.4
[M+NH4]+	227.15427	162.9
[M+K]+	248.08361	150.6
[M+H-H2O]+	192.11771	138.5
[M+HCOO]-	254.11865	163.2
[M+CH3COO]-	268.13430	156.5
[M+Na-2H]-	230.09512	152.6
[M]+	209.11990	140.5
[M]-	209.12100	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe