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

503
References

37792
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

literature stripe

Patent stripe

patents stripe