CID 45792558

(2-benzyl-octahydro-1h-isoindol-3a-yl)methanamine

Structural Information

Molecular Formula
C16H24N2
SMILES
C1CCC2(CN(CC2C1)CC3=CC=CC=C3)CN
InChI
InChI=1S/C16H24N2/c17-12-16-9-5-4-8-15(16)11-18(13-16)10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2
InChIKey
AFHIMDPHXZNRAO-UHFFFAOYSA-N
Compound name
(2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 159.4
[M+Na]+ 267.18317 163.5
[M-H]- 243.18667 163.7
[M+NH4]+ 262.22777 179.2
[M+K]+ 283.15711 158.8
[M+H-H2O]+ 227.19121 151.2
[M+HCOO]- 289.19215 177.1
[M+CH3COO]- 303.20780 169.7
[M+Na-2H]- 265.16862 162.3
[M]+ 244.19340 152.4
[M]- 244.19450 152.4
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

No patent data available for this compound.