CID 21894

5694-65-5

Structural Information

Molecular Formula
C6H4N2O2
SMILES
C1COC(=C(C#N)C#N)O1
InChI
InChI=1S/C6H4N2O2/c7-3-5(4-8)6-9-1-2-10-6/h1-2H2
InChIKey
PWPZBDNODBHUSS-UHFFFAOYSA-N
Compound name
2-(1,3-dioxolan-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

136.02728 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03456 136.6
[M+Na]+ 159.01650 146.1
[M-H]- 135.02000 140.3
[M+NH4]+ 154.06110 150.0
[M+K]+ 174.99044 144.9
[M+H-H2O]+ 119.02454 121.4
[M+HCOO]- 181.02548 147.8
[M+CH3COO]- 195.04113 206.3
[M+Na-2H]- 157.00195 140.1
[M]+ 136.02673 128.1
[M]- 136.02783 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.