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 165.3
[M+Na]+ 190.01242 169.4
[M-H]- 166.01592 168.8
[M+NH4]+ 185.05702 169.1
[M+K]+ 205.98636 168.4
[M+H-H2O]+ 150.02046 156.9
[M+HCOO]- 212.02140 166.5
[M+CH3COO]- 226.03705 245.7
[M+Na-2H]- 187.99787 162.0
[M]+ 167.02265 159.3
[M]- 167.02375 159.3
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.