CID 10877879

88946-67-2

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

COC1=C(C=C(C(=C1)C#N)C#N)OC

InChI

InChI=1S/C10H8N2O2/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4H,1-2H3

InChIKey

BDSTWWJVHJRQHV-UHFFFAOYSA-N

Compound name

4,5-dimethoxybenzene-1,2-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 188.05858 Da
Monoisotopic Mass: 1.3
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]+	189.065856	148.4
[M+Na]+	211.047798	159.4
[M-H]-	187.051304	152.5
[M+NH4]+	206.092403	161.8
[M+K]+	227.021738	156.8
[M+H-H2O]+	171.055840	133.8
[M+HCOO]-	233.056781	162.0
[M+CH3COO]-	247.072431	216.1
[M+Na-2H]-	209.033246	151.2
[M]+	188.05803142	143.0
[M]-	188.05912858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe