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
7
Annotation Hits

70
References

26605
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 127.7
[M+Na]+ 103.026663 137.4
[M-H]- 79.030169 130.3
[M+NH4]+ 98.071268 143.7
[M+K]+ 119.000603 136.8
[M+H-H2O]+ 63.034705 114.1
[M+HCOO]- 125.035646 141.4
[M+CH3COO]- 139.051296 203.0
[M+Na-2H]- 101.012111 132.7
[M]+ 80.03689642 120.3
[M]- 80.03799358 120.3
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