CID 35347

Brn 1454271

Structural Information

Molecular Formula

C₁₅H₁₅N

SMILES

CC1=CCC2=CN(C=C2C1)C3=CC=CC=C3

InChI

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

InChIKey

ASQBOJLQWCQBSC-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-4,7-dihydroisoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.12045 Da
Monoisotopic Mass: 3.3
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	147.3
[M+Na]+	232.10967	162.7
[M+NH4]+	227.15427	158.0
[M+K]+	248.08361	155.3
[M-H]-	208.11317	152.8
[M+Na-2H]-	230.09512	156.6
[M]+	209.11990	151.3
[M]-	209.12100	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.