CID 3050679

2-(morpholinocarbonyl)veratraldehyde

Structural Information

Molecular Formula

C₁₄H₁₇NO₅

SMILES

COC1=C(C(=C(C=C1)C=O)C(=O)N2CCOCC2)OC

InChI

InChI=1S/C14H17NO5/c1-18-11-4-3-10(9-16)12(13(11)19-2)14(17)15-5-7-20-8-6-15/h3-4,9H,5-8H2,1-2H3

InChIKey

OMJHUXIWUXDYAO-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-2-(morpholine-4-carbonyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1107 Da
Monoisotopic Mass: 0.4
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]+	280.117976	161.5
[M+Na]+	302.099918	167.8
[M-H]-	278.103424	167.2
[M+NH4]+	297.144523	174.6
[M+K]+	318.073858	167.7
[M+H-H2O]+	262.107960	153.1
[M+HCOO]-	324.108901	179.7
[M+CH3COO]-	338.124551	198.4
[M+Na-2H]-	300.085366	164.3
[M]+	279.11015142	163.7
[M]-	279.11124858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe