CID 6437643

7520-69-6

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

COC/C(=C/C1=CC(=C(C(=C1)OC)OC)OC)/C#N

InChI

InChI=1S/C14H17NO4/c1-16-9-11(8-15)5-10-6-12(17-2)14(19-4)13(7-10)18-3/h5-7H,9H2,1-4H3/b11-5+

InChIKey

RMKSZKNEPFLURM-VZUCSPMQSA-N

Compound name

(E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.11575 Da
Monoisotopic Mass: 1.6
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]+	264.123026	156.2
[M+Na]+	286.104968	166.0
[M-H]-	262.108474	159.7
[M+NH4]+	281.149573	171.7
[M+K]+	302.078908	164.2
[M+H-H2O]+	246.113010	143.4
[M+HCOO]-	308.113951	175.8
[M+CH3COO]-	322.129601	209.0
[M+Na-2H]-	284.090416	158.7
[M]+	263.11520142	157.7
[M]-	263.11629858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe