CID 44629878

1,2,2,3-propanetetracarbonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C(C#N)C(CC#N)(C#N)C#N
InChI
InChI=1S/C7H4N4/c8-3-1-7(5-10,6-11)2-4-9/h1-2H2
InChIKey
RAFBXJGDOLMWDJ-UHFFFAOYSA-N
Compound name
propane-1,2,2,3-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

144.0436 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 160.6
[M+Na]+ 167.03282 165.2
[M-H]- 143.03632 164.5
[M+NH4]+ 162.07742 164.9
[M+K]+ 183.00676 164.3
[M+H-H2O]+ 127.04086 152.6
[M+HCOO]- 189.04180 162.2
[M+CH3COO]- 203.05745 244.7
[M+Na-2H]- 165.01827 158.6
[M]+ 144.04305 155.5
[M]- 144.04415 155.5
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

patents stripe