CID 32518

Tridemorph

Structural Information

Molecular Formula

C₁₉H₃₉NO

SMILES

CCCCCCCCCCCCCN1CC(OC(C1)C)C

InChI

InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3

InChIKey

YTOPFCCWCSOHFV-UHFFFAOYSA-N

Compound name

2,6-dimethyl-4-tridecylmorpholine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 28
References: 41506
Patents: 297.30316 Da
Monoisotopic Mass: 6.9
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]+	298.31044	182.6
[M+Na]+	320.29238	184.6
[M-H]-	296.29588	182.9
[M+NH4]+	315.33698	195.6
[M+K]+	336.26632	182.2
[M+H-H2O]+	280.30042	174.3
[M+HCOO]-	342.30136	197.4
[M+CH3COO]-	356.31701	209.4
[M+Na-2H]-	318.27783	181.8
[M]+	297.30261	185.2
[M]-	297.30371	185.2

Literature stripe

literature stripe

Patent stripe

patents stripe