CID 55387

1-(4-cyclopentylphenyl)-2-(4-morpholinyl)ethanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)CN3CCOCC3
InChI
InChI=1S/C17H23NO2/c19-17(13-18-9-11-20-12-10-18)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-8,14H,1-4,9-13H2
InChIKey
NCYLSJYPVYRPLK-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.9
[M+Na]+ 296.16210 168.2
[M-H]- 272.16560 173.1
[M+NH4]+ 291.20670 180.0
[M+K]+ 312.13604 165.9
[M+H-H2O]+ 256.17014 157.0
[M+HCOO]- 318.17108 181.6
[M+CH3COO]- 332.18673 175.6
[M+Na-2H]- 294.14755 165.7
[M]+ 273.17233 159.9
[M]- 273.17343 159.9
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