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 178.7
[M+Na]+ 350.17266 184.3
[M-H]- 326.17616 182.6
[M+NH4]+ 345.21726 190.6
[M+K]+ 366.14660 177.3
[M+H-H2O]+ 310.18070 163.4
[M+HCOO]- 372.18164 188.6
[M+CH3COO]- 386.19729 208.1
[M+Na-2H]- 348.15811 178.0
[M]+ 327.18289 169.1
[M]- 327.18399 169.1
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

patents stripe