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]+ 245.201226 159.4
[M+Na]+ 267.183168 163.5
[M-H]- 243.186674 163.7
[M+NH4]+ 262.227773 179.2
[M+K]+ 283.157108 158.8
[M+H-H2O]+ 227.191210 151.2
[M+HCOO]- 289.192151 177.1
[M+CH3COO]- 303.207801 169.7
[M+Na-2H]- 265.168616 162.3
[M]+ 244.19340142 152.4
[M]- 244.19449858 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.