CID 760860

4-(1-phenylcyclopentanecarbonyl)morpholine

Structural Information

Molecular Formula
C16H21NO2
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C16H21NO2/c18-15(17-10-12-19-13-11-17)16(8-4-5-9-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKey
RRBZANAGUFGHSO-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(1-phenylcyclopentyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

259.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 162.0
[M+Na]+ 282.14645 164.9
[M-H]- 258.14995 169.4
[M+NH4]+ 277.19105 178.5
[M+K]+ 298.12039 163.2
[M+H-H2O]+ 242.15449 153.5
[M+HCOO]- 304.15543 178.1
[M+CH3COO]- 318.17108 172.3
[M+Na-2H]- 280.13190 164.0
[M]+ 259.15668 155.6
[M]- 259.15778 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.