CID 8062

Succinonitrile

Structural Information

Molecular Formula
C4H4N2
SMILES
C(CC#N)C#N
InChI
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
InChIKey
IAHFWCOBPZCAEA-UHFFFAOYSA-N
Compound name
butanedinitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

70
References

24367
Patents

80.037445 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.044721 146.5
[M+Na]+ 103.02666 154.5
[M+NH4]+ 98.071268 147.7
[M+K]+ 119.00060 144.6
[M-H]- 79.030169 135.8
[M+Na-2H]- 101.01211 145.7
[M]+ 80.036896 143.3
[M]- 80.037994 143.3
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