CID 47515

65021-81-0

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]+ 216.174676 151.4
[M+Na]+ 238.156618 156.7
[M-H]- 214.160124 156.6
[M+NH4]+ 233.201223 171.3
[M+K]+ 254.130558 152.6
[M+H-H2O]+ 198.164660 143.7
[M+HCOO]- 260.165601 169.0
[M+CH3COO]- 274.181251 162.9
[M+Na-2H]- 236.142066 153.6
[M]+ 215.16685142 145.8
[M]- 215.16794858 145.8
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.