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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 146.6
[M+Na]+ 232.109668 155.1
[M-H]- 208.113174 153.0
[M+NH4]+ 227.154273 167.0
[M+K]+ 248.083608 150.4
[M+H-H2O]+ 192.117710 139.1
[M+HCOO]- 254.118651 168.6
[M+CH3COO]- 268.134301 159.8
[M+Na-2H]- 230.095116 152.0
[M]+ 209.11990142 145.4
[M]- 209.12099858 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.