CID 47515

5-methyl-2-phenylhexahydroisoindoline

Structural Information

Molecular Formula
C15H21N
SMILES
CC1CCC2CN(CC2C1)C3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-12-7-8-13-10-16(11-14(13)9-12)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
InChIKey
HCUHWVPLUKTLLT-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 152.0
[M+Na]+ 238.15662 164.7
[M+NH4]+ 233.20122 162.6
[M+K]+ 254.13056 157.8
[M-H]- 214.16012 156.9
[M+Na-2H]- 236.14207 158.5
[M]+ 215.16685 155.2
[M]- 215.16795 155.2
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.