CID 5367033

Cis,cis-mucononitrile

Structural Information

Molecular Formula

C₆H₄N₂

SMILES

C(=C\C#N)\C=C/C#N

InChI

InChI=1S/C6H4N2/c7-5-3-1-2-4-6-8/h1-4H/b3-1-,4-2-

InChIKey

QLQYLCRMTTXKHS-CCAGOZQPSA-N

Compound name

(2Z,4Z)-hexa-2,4-dienedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 104.037445 Da
Monoisotopic Mass: 0.6
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]+	105.04472	135.7
[M+Na]+	127.02666	145.4
[M-H]-	103.03017	138.2
[M+NH4]+	122.07127	151.1
[M+K]+	143.00060	143.5
[M+H-H2O]+	87.034705	121.9
[M+HCOO]-	149.03565	149.2
[M+CH3COO]-	163.05130	204.8
[M+Na-2H]-	125.01211	139.7
[M]+	104.03690	127.8
[M]-	104.03799	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe