CID 21186482

217464-22-7

Structural Information

Molecular Formula
C15H22N2
SMILES
C1CC2CN(CC2C(C1)N)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2/c16-15-8-4-7-13-10-17(11-14(13)15)9-12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11,16H2
InChIKey
DEDUBZVXFIONOV-UHFFFAOYSA-N
Compound name
2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.1783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 154.6
[M+Na]+ 253.16752 159.1
[M-H]- 229.17102 159.1
[M+NH4]+ 248.21212 173.3
[M+K]+ 269.14146 154.5
[M+H-H2O]+ 213.17556 146.6
[M+HCOO]- 275.17650 172.6
[M+CH3COO]- 289.19215 165.3
[M+Na-2H]- 251.15297 156.4
[M]+ 230.17775 147.4
[M]- 230.17885 147.4
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