CID 98730

1-undecanone, 1-morpholino-

Structural Information

Molecular Formula

C₁₅H₂₉NO₂

SMILES

CCCCCCCCCCC(=O)N1CCOCC1

InChI

InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-15(17)16-11-13-18-14-12-16/h2-14H2,1H3

InChIKey

DIVMORBOGQJESX-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylundecan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 255.21983 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]+	256.227106	167.3
[M+Na]+	278.209048	169.1
[M-H]-	254.212554	167.8
[M+NH4]+	273.253653	181.3
[M+K]+	294.182988	168.1
[M+H-H2O]+	238.217090	159.3
[M+HCOO]-	300.218031	182.9
[M+CH3COO]-	314.233681	196.4
[M+Na-2H]-	276.194496	168.9
[M]+	255.21928142	167.7
[M]-	255.22037858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe