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: 5117
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	171.7
[M+Na]+	294.24035	180.1
[M+NH4]+	289.28495	178.0
[M+K]+	310.21429	173.8
[M-H]-	270.24385	173.0
[M+Na-2H]-	292.22580	172.7
[M]+	271.25058	173.0
[M]-	271.25168	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe