CID 3065298

Glutacyt

Structural Information

Molecular Formula
C11H8N4O4
SMILES
C1=CC=C(C=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-]
InChI
InChI=1S/C11H8N4O4/c12-6-9(14(16)17)11(10(7-13)15(18)19)8-4-2-1-3-5-8/h1-5,9-11H
InChIKey
CPSYFFKEBHHDKC-UHFFFAOYSA-N
Compound name
2,4-dinitro-3-phenylpentanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05457 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06185 163.1
[M+Na]+ 283.04379 166.4
[M+NH4]+ 278.08839 167.9
[M+K]+ 299.01773 171.3
[M-H]- 259.04729 160.2
[M+Na-2H]- 281.02924 179.4
[M]+ 260.05402 163.9
[M]- 260.05512 163.9
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.