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

11
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.0
[M+Na]+ 212.140968 149.5
[M-H]- 188.144474 147.8
[M+NH4]+ 207.185573 163.9
[M+K]+ 228.114908 145.5
[M+H-H2O]+ 172.149010 137.5
[M+HCOO]- 234.149951 164.9
[M+CH3COO]- 248.165601 179.8
[M+Na-2H]- 210.126416 148.6
[M]+ 189.15120142 140.3
[M]- 189.15229858 140.3
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

patents stripe