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]+ 190.15903 145.0
[M+Na]+ 212.14097 149.5
[M-H]- 188.14447 147.8
[M+NH4]+ 207.18557 163.9
[M+K]+ 228.11491 145.5
[M+H-H2O]+ 172.14901 137.5
[M+HCOO]- 234.14995 164.9
[M+CH3COO]- 248.16560 179.8
[M+Na-2H]- 210.12642 148.6
[M]+ 189.15120 140.3
[M]- 189.15230 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