CID 688224

1891-10-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

COC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3/b6-5+

InChIKey

NUMXHEUHHRTBQT-AATRIKPKSA-N

Compound name

2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 209.0688 Da
Monoisotopic Mass: 2.1
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]+	210.07608	142.7
[M+Na]+	232.05802	155.9
[M+NH4]+	227.10262	150.2
[M+K]+	248.03196	152.4
[M-H]-	208.06152	145.3
[M+Na-2H]-	230.04347	148.5
[M]+	209.06825	145.1
[M]-	209.06935	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe