CID 3070078

4-morpholineethanol, alpha-(4-cyclopentylphenyl)-, (z)-2-butenedioate (1:1)

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: 1
Patents: 275.18854 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.195816	167.0
[M+Na]+	298.177758	168.5
[M-H]-	274.181264	172.7
[M+NH4]+	293.222363	180.4
[M+K]+	314.151698	165.9
[M+H-H2O]+	258.185800	158.3
[M+HCOO]-	320.186741	180.9
[M+CH3COO]-	334.202391	175.9
[M+Na-2H]-	296.163206	166.4
[M]+	275.18799142	159.9
[M]-	275.18908858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe