CID 57337

Delmopinol

Structural Information

Molecular Formula

C₁₆H₃₃NO₂

SMILES

CCCC(CCC)CCCC1COCCN1CCO

InChI

InChI=1S/C16H33NO2/c1-3-6-15(7-4-2)8-5-9-16-14-19-13-11-17(16)10-12-18/h15-16,18H,3-14H2,1-2H3

InChIKey

QSFOWAYMMZCQNF-UHFFFAOYSA-N

Compound name

2-[3-(4-propylheptyl)morpholin-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 61
References: 5434
Patents: 271.25113 Da
Monoisotopic Mass: 4.0
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]+	272.25841	173.4
[M+Na]+	294.24035	174.9
[M-H]-	270.24385	172.6
[M+NH4]+	289.28495	186.3
[M+K]+	310.21429	173.4
[M+H-H2O]+	254.24839	165.6
[M+HCOO]-	316.24933	186.9
[M+CH3COO]-	330.26498	199.5
[M+Na-2H]-	292.22580	173.2
[M]+	271.25058	173.4
[M]-	271.25168	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe