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 165.8
[M+Na]+ 296.16210 172.6
[M-H]- 272.16560 174.1
[M+NH4]+ 291.20670 179.2
[M+K]+ 312.13604 169.5
[M+H-H2O]+ 256.17014 158.3
[M+HCOO]- 318.17108 185.6
[M+CH3COO]- 332.18673 199.4
[M+Na-2H]- 294.14755 167.3
[M]+ 273.17233 167.6
[M]- 273.17343 167.6
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.