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

5
Annotation Hits: 61
References: 5915
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]+	272.258406	173.4
[M+Na]+	294.240348	174.9
[M-H]-	270.243854	172.6
[M+NH4]+	289.284953	186.3
[M+K]+	310.214288	173.4
[M+H-H2O]+	254.248390	165.6
[M+HCOO]-	316.249331	186.9
[M+CH3COO]-	330.264981	199.5
[M+Na-2H]-	292.225796	173.2
[M]+	271.25058142	173.4
[M]-	271.25167858	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe