CID 125461886

Rel-(3as,6ar)-2-benzyl-3a-methyloctahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C14H20N2
SMILES
C[C@@]12CNC[C@@H]1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-14-10-15-7-13(14)9-16(11-14)8-12-5-3-2-4-6-12/h2-6,13,15H,7-11H2,1H3/t13-,14+/m1/s1
InChIKey
AESYNSJGQAAOOB-KGLIPLIRSA-N
Compound name
(3aS,6aR)-5-benzyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.3
[M+Na]+ 239.15186 158.7
[M-H]- 215.15536 155.4
[M+NH4]+ 234.19646 173.8
[M+K]+ 255.12580 154.2
[M+H-H2O]+ 199.15990 144.6
[M+HCOO]- 261.16084 169.8
[M+CH3COO]- 275.17649 163.6
[M+Na-2H]- 237.13731 154.4
[M]+ 216.16209 147.4
[M]- 216.16319 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

No patent data available for this compound.