CID 3070078

Alpha-(4-cyclopentylphenyl)-4-morpholineethanol (z)-2-butenedioate

Structural Information

Molecular Formula
C17H25NO2
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(CN3CCOCC3)O
InChI
InChI=1S/C17H25NO2/c19-17(13-18-9-11-20-12-10-18)16-7-5-15(6-8-16)14-3-1-2-4-14/h5-8,14,17,19H,1-4,9-13H2
InChIKey
ONWYLAZEWPCYAR-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.4
[M+Na]+ 298.17776 178.7
[M+NH4]+ 293.22236 176.6
[M+K]+ 314.15170 174.0
[M-H]- 274.18126 174.1
[M+Na-2H]- 296.16321 173.9
[M]+ 275.18799 171.3
[M]- 275.18909 171.3
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.