CID 43809

2-phenyl-4,5,6,7-tetrahydroisoindole

Structural Information

Molecular Formula
C14H15N
SMILES
C1CCC2=CN(C=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C14H15N/c1-2-8-14(9-3-1)15-10-12-6-4-5-7-13(12)11-15/h1-3,8-11H,4-7H2
InChIKey
DKWWULOOUAZNGJ-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

197.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 144.6
[M+Na]+ 220.10967 159.0
[M+NH4]+ 215.15427 155.5
[M+K]+ 236.08361 151.8
[M-H]- 196.11317 149.9
[M+Na-2H]- 218.09512 153.5
[M]+ 197.11990 148.3
[M]- 197.12100 148.3
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

patents stripe