CID 77282

1,1,3,3-propanetetracarbonitrile

Structural Information

Molecular Formula
C7H4N4
SMILES
C(C(C#N)C#N)C(C#N)C#N
InChI
InChI=1S/C7H4N4/c8-2-6(3-9)1-7(4-10)5-11/h6-7H,1H2
InChIKey
QHNAZGXMVZNHLI-UHFFFAOYSA-N
Compound name
propane-1,1,3,3-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

119
Patents

144.0436 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05088 159.0
[M+Na]+ 167.03282 163.5
[M-H]- 143.03632 162.8
[M+NH4]+ 162.07742 163.3
[M+K]+ 183.00676 162.6
[M+H-H2O]+ 127.04086 151.0
[M+HCOO]- 189.04180 160.6
[M+CH3COO]- 203.05745 244.9
[M+Na-2H]- 165.01827 156.7
[M]+ 144.04305 153.8
[M]- 144.04415 153.8
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.