CID 89836

4-veratroylmorpholine

Structural Information

Molecular Formula

C₁₃H₁₇NO₄

SMILES

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

InChI

InChI=1S/C13H17NO4/c1-16-11-4-3-10(9-12(11)17-2)13(15)14-5-7-18-8-6-14/h3-4,9H,5-8H2,1-2H3

InChIKey

BGHJPTFCAXYYSE-UHFFFAOYSA-N

Compound name

(3,4-dimethoxyphenyl)-morpholin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 251.11575 Da
Monoisotopic Mass: 1.2
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]+	252.12303	155.8
[M+Na]+	274.10497	161.5
[M-H]-	250.10847	161.3
[M+NH4]+	269.14957	169.9
[M+K]+	290.07891	161.5
[M+H-H2O]+	234.11301	147.5
[M+HCOO]-	296.11395	174.0
[M+CH3COO]-	310.12960	192.7
[M+Na-2H]-	272.09042	159.7
[M]+	251.11520	156.5
[M]-	251.11630	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe