CID 8010

Malononitrile

Structural Information

Molecular Formula
C3H2N2
SMILES
C(C#N)C#N
InChI
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
InChIKey
CUONGYYJJVDODC-UHFFFAOYSA-N
Compound name
propanedinitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

504
References

38299
Patents

66.0218 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 67.029076 125.0
[M+Na]+ 89.011018 134.9
[M-H]- 65.014524 127.7
[M+NH4]+ 84.055623 141.3
[M+K]+ 104.98496 134.5
[M+H-H2O]+ 49.019060 111.5
[M+HCOO]- 111.02000 138.9
[M+CH3COO]- 125.03565 201.0
[M+Na-2H]- 86.996466 130.4
[M]+ 66.021251 117.4
[M]- 66.022349 117.4
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.