CID 55336

Cis-1-phenyl-2-(1-pyrrolidinylmethyl)cyclopropanecarboxylic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCOC(=O)[C@@]1(C[C@@H]1CN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO2/c1-2-20-16(19)17(14-8-4-3-5-9-14)12-15(17)13-18-10-6-7-11-18/h3-5,8-9,15H,2,6-7,10-13H2,1H3/t15-,17+/m1/s1
InChIKey
OLGUEQZPXJUZPQ-WBVHZDCISA-N
Compound name
ethyl (1R,2S)-1-phenyl-2-(pyrrolidin-1-ylmethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 169.0
[M+Na]+ 296.16210 181.4
[M+NH4]+ 291.20670 178.9
[M+K]+ 312.13604 175.6
[M-H]- 272.16560 179.8
[M+Na-2H]- 294.14755 179.1
[M]+ 273.17233 175.0
[M]- 273.17343 175.0
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

No patent data available for this compound.