CID 4441818

2-(3-phenylpropyl)pyrrolidine

Structural Information

Molecular Formula
C13H19N
SMILES
C1CC(NC1)CCCC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-6-12(7-3-1)8-4-9-13-10-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey
NDXMZQWEQVHWOO-UHFFFAOYSA-N
Compound name
2-(3-phenylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 146.5
[M+Na]+ 212.14097 158.0
[M+NH4]+ 207.18557 155.7
[M+K]+ 228.11491 151.6
[M-H]- 188.14447 149.9
[M+Na-2H]- 210.12642 153.6
[M]+ 189.15120 149.0
[M]- 189.15230 149.0
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