CID 610616

3,5-dimethoxy-beta-nitrostyrene

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

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

InChI

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

InChIKey

LIROLLNTVLAPGP-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-5-(2-nitroethenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
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	143.2
[M+Na]+	232.05802	151.1
[M-H]-	208.06152	147.3
[M+NH4]+	227.10262	161.6
[M+K]+	248.03196	145.7
[M+H-H2O]+	192.06606	141.8
[M+HCOO]-	254.06700	169.3
[M+CH3COO]-	268.08265	180.4
[M+Na-2H]-	230.04347	150.4
[M]+	209.06825	145.2
[M]-	209.06935	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe