CID 23008733

3-phenyl-octahydrocyclopenta[b]pyrrole

Structural Information

Molecular Formula
C13H17N
SMILES
C1CC2C(C1)NCC2C3=CC=CC=C3
InChI
InChI=1S/C13H17N/c1-2-5-10(6-3-1)12-9-14-13-8-4-7-11(12)13/h1-3,5-6,11-14H,4,7-9H2
InChIKey
ANUWJZVDTUHQRB-UHFFFAOYSA-N
Compound name
3-phenyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 143.9
[M+Na]+ 210.12532 154.8
[M+NH4]+ 205.16992 154.1
[M+K]+ 226.09926 150.8
[M-H]- 186.12882 147.5
[M+Na-2H]- 208.11077 149.5
[M]+ 187.13555 146.3
[M]- 187.13665 146.3
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.