CID 42614534

2-benzyl-octahydrocyclopenta[c]pyrrol-4-amine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC(C2C1CN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C14H20N2/c15-14-7-6-12-9-16(10-13(12)14)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2
InChIKey
AZKBNPLDOBTBBR-UHFFFAOYSA-N
Compound name
2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

216.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 150.7
[M+Na]+ 239.15186 156.5
[M-H]- 215.15536 156.1
[M+NH4]+ 234.19646 171.9
[M+K]+ 255.12580 152.4
[M+H-H2O]+ 199.15990 143.5
[M+HCOO]- 261.16084 171.3
[M+CH3COO]- 275.17649 162.6
[M+Na-2H]- 237.13731 151.5
[M]+ 216.16209 145.6
[M]- 216.16319 145.6
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

patents stripe