CID 11007970

2-(dimethoxymethylidene)propanedinitrile

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

COC(=C(C#N)C#N)OC

InChI

InChI=1S/C6H6N2O2/c1-9-6(10-2)5(3-7)4-8/h1-2H3

InChIKey

XIHOVMBYUMTLNJ-UHFFFAOYSA-N

Compound name

2-(dimethoxymethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 138.04292 Da
Monoisotopic Mass: 0.3
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]+	139.050196	140.0
[M+Na]+	161.032138	148.8
[M-H]-	137.035644	142.4
[M+NH4]+	156.076743	154.3
[M+K]+	177.006078	148.8
[M+H-H2O]+	121.040180	125.8
[M+HCOO]-	183.041121	152.3
[M+CH3COO]-	197.056771	209.4
[M+Na-2H]-	159.017586	142.3
[M]+	138.04237142	133.4
[M]-	138.04346858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe