CID 205329

Cyclopentanecarboxylic acid, 1-phenyl-, 4-(1-pyrrolidinyl)-2-butynyl ester, hydrochloride

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3
InChI
InChI=1S/C20H25NO2/c22-19(23-17-9-8-16-21-14-6-7-15-21)20(12-4-5-13-20)18-10-2-1-3-11-18/h1-3,10-11H,4-7,12-17H2
InChIKey
LEOJETMTTVXGJG-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 178.3
[M+Na]+ 334.17776 187.3
[M+NH4]+ 329.22236 183.5
[M+K]+ 350.15170 178.3
[M-H]- 310.18126 173.5
[M+Na-2H]- 332.16321 181.6
[M]+ 311.18799 177.3
[M]- 311.18909 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.