CID 104558

53663-17-5

Structural Information

Molecular Formula
C8HN5
SMILES
C(=C(C#N)C(=C(C#N)C#N)C#N)=N
InChI
InChI=1S/C8HN5/c9-1-6(2-10)8(5-13)7(3-11)4-12/h9H
InChIKey
RLIMDSWXANTXEX-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0232 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03048 203.5
[M+Na]+ 190.01242 205.0
[M+NH4]+ 185.05702 201.7
[M+K]+ 205.98636 199.2
[M-H]- 166.01592 197.5
[M+Na-2H]- 187.99787 199.2
[M]+ 167.02265 201.4
[M]- 167.02375 201.4
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.