CID 28106

2-methyl-2-phenylisoindolinium iodide

Structural Information

Molecular Formula
C15H16N
SMILES
C[N+]1(CC2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C15H16N/c1-16(15-9-3-2-4-10-15)11-13-7-5-6-8-14(13)12-16/h2-10H,11-12H2,1H3/q+1
InChIKey
VIUXVDUNESHMCU-UHFFFAOYSA-N
Compound name
2-methyl-2-phenyl-1,3-dihydroisoindol-2-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.12828 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13556 147.9
[M+Na]+ 233.11750 156.2
[M-H]- 209.12100 154.5
[M+NH4]+ 228.16210 169.9
[M+K]+ 249.09144 145.9
[M+H-H2O]+ 193.12554 143.0
[M+HCOO]- 255.12648 169.4
[M+CH3COO]- 269.14213 179.9
[M+Na-2H]- 231.10295 156.9
[M]+ 210.12773 144.9
[M]- 210.12883 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.