CID 122163610

Rac-(3ar,7as)-5-benzyl-octahydro-1h-pyrrolo[3,4-c]pyridin-1-one

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CN(C[C@@H]2[C@H]1C(=O)NC2)CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-14-13-6-7-16(10-12(13)8-15-14)9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)/t12-,13+/m1/s1
InChIKey
RZDNWXGLKFTFQQ-OLZOCXBDSA-N
Compound name
(3aR,7aS)-5-benzyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 155.0
[M+Na]+ 253.13112 166.5
[M+NH4]+ 248.17572 163.6
[M+K]+ 269.10506 161.0
[M-H]- 229.13462 157.7
[M+Na-2H]- 251.11657 160.0
[M]+ 230.14135 157.2
[M]- 230.14245 157.2
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.