CID 86789

18790-57-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3

InChIKey

MQFREHNTGKNSRH-UHFFFAOYSA-N

Compound name

1,4-dimethoxy-2-(2-nitroprop-1-enyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 223.08446 Da
Monoisotopic Mass: 2.5
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]+	224.09174	147.0
[M+Na]+	246.07368	159.7
[M+NH4]+	241.11828	154.2
[M+K]+	262.04762	156.8
[M-H]-	222.07718	149.4
[M+Na-2H]-	244.05913	152.2
[M]+	223.08391	149.3
[M]-	223.08501	149.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.