CID 205337

Cyclopentanecarboxylic acid, 1-phenyl-, 4-morpholino-2-butynyl ester, hydrochloride

Structural Information

Molecular Formula
C20H25NO3
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCOCC3
InChI
InChI=1S/C20H25NO3/c22-19(24-15-7-6-12-21-13-16-23-17-14-21)20(10-4-5-11-20)18-8-2-1-3-9-18/h1-3,8-9H,4-5,10-17H2
InChIKey
SAPNBXVOTFDVIZ-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 182.2
[M+Na]+ 350.17266 192.0
[M+NH4]+ 345.21726 187.0
[M+K]+ 366.14660 181.8
[M-H]- 326.17616 178.6
[M+Na-2H]- 348.15811 185.3
[M]+ 327.18289 181.7
[M]- 327.18399 181.7
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.