CID 64250

4-morpholineethanol, alpha-(3-adamantylmethoxymethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₃₁NO₃

SMILES

C1COCCN1CC(COCC23CC4CC(C2)CC(C4)C3)O

InChI

InChI=1S/C18H31NO3/c20-17(11-19-1-3-21-4-2-19)12-22-13-18-8-14-5-15(9-18)7-16(6-14)10-18/h14-17,20H,1-13H2

InChIKey

MWKPSZICRULCTP-UHFFFAOYSA-N

Compound name

1-(1-adamantylmethoxy)-3-morpholin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 309.2304 Da
Monoisotopic Mass: 2.0
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]+	310.237676	170.9
[M+Na]+	332.219618	168.0
[M-H]-	308.223124	165.1
[M+NH4]+	327.264223	188.2
[M+K]+	348.193558	166.0
[M+H-H2O]+	292.227660	161.5
[M+HCOO]-	354.228601	169.2
[M+CH3COO]-	368.244251	175.4
[M+Na-2H]-	330.205066	177.8
[M]+	309.22985142	168.3
[M]-	309.23094858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe