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 167.0
[M+Na]+ 298.17776 168.5
[M-H]- 274.18126 172.7
[M+NH4]+ 293.22236 180.4
[M+K]+ 314.15170 165.9
[M+H-H2O]+ 258.18580 158.3
[M+HCOO]- 320.18674 180.9
[M+CH3COO]- 334.20239 175.9
[M+Na-2H]- 296.16321 166.4
[M]+ 275.18799 159.9
[M]- 275.18909 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