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 143.4
[M+Na]+ 220.10967 150.4
[M-H]- 196.11317 149.2
[M+NH4]+ 215.15427 163.9
[M+K]+ 236.08361 146.1
[M+H-H2O]+ 180.11771 135.7
[M+HCOO]- 242.11865 164.3
[M+CH3COO]- 256.13430 156.1
[M+Na-2H]- 218.09512 149.0
[M]+ 197.11990 140.0
[M]- 197.12100 140.0
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