CID 23009830

3-phenyl-3-(pyrrolidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(C1)C(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKey
WCQOIOOELNYCFG-UHFFFAOYSA-N
Compound name
3-phenyl-3-pyrrolidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.3
[M+Na]+ 242.11515 155.3
[M-H]- 218.11865 154.4
[M+NH4]+ 237.15975 168.6
[M+K]+ 258.08909 152.7
[M+H-H2O]+ 202.12319 143.8
[M+HCOO]- 264.12413 169.7
[M+CH3COO]- 278.13978 184.6
[M+Na-2H]- 240.10060 152.4
[M]+ 219.12538 147.4
[M]- 219.12648 147.4
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.