CID 21124793

Ns00058916

Structural Information

Molecular Formula

C₁₈H₂₃NO₃

SMILES

CC1(C2(CCC=CC2)C3=C(O1)C=CC(=C3)O)N4CCOCC4

InChI

InChI=1S/C18H23NO3/c1-17(19-9-11-21-12-10-19)18(7-3-2-4-8-18)15-13-14(20)5-6-16(15)22-17/h2-3,5-6,13,20H,4,7-12H2,1H3

InChIKey

RLZPNHPMTRXRGA-UHFFFAOYSA-N

Compound name

2-methyl-2-morpholin-4-ylspiro[1-benzofuran-3,4'-cyclohexene]-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.1678 Da
Monoisotopic Mass: 2.9
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]+	302.175076	170.7
[M+Na]+	324.157018	176.6
[M-H]-	300.160524	178.1
[M+NH4]+	319.201623	187.6
[M+K]+	340.130958	174.5
[M+H-H2O]+	284.165060	162.5
[M+HCOO]-	346.166001	182.9
[M+CH3COO]-	360.181651	180.8
[M+Na-2H]-	322.142466	174.9
[M]+	301.16725142	166.0
[M]-	301.16834858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.