CID 11356376

6-benzyloctahydro-1h-pyrrolo[3,4-b]pyridine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2CN(CC2NC1)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2
InChIKey
AFYZAHZKOFBVLE-UHFFFAOYSA-N
Compound name
6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

232
Patents

216.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.5
[M+Na]+ 239.151858 155.9
[M-H]- 215.155364 153.5
[M+NH4]+ 234.196463 168.9
[M+K]+ 255.125798 151.0
[M+H-H2O]+ 199.159900 142.8
[M+HCOO]- 261.160841 166.6
[M+CH3COO]- 275.176491 161.5
[M+Na-2H]- 237.137306 154.4
[M]+ 216.16209142 143.8
[M]- 216.16318858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe