CID 19422

F 2394

Structural Information

Molecular Formula
C12H10N4
SMILES
CC(=C(C#N)C#N)CCC(=C(C#N)C#N)C
InChI
InChI=1S/C12H10N4/c1-9(11(5-13)6-14)3-4-10(2)12(7-15)8-16/h3-4H2,1-2H3
InChIKey
NRSBGAZEEFLSFW-UHFFFAOYSA-N
Compound name
2,5-dimethylhexa-1,5-diene-1,1,6,6-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09055 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 166.0
[M+Na]+ 233.07977 170.2
[M-H]- 209.08327 169.7
[M+NH4]+ 228.12437 169.8
[M+K]+ 249.05371 168.9
[M+H-H2O]+ 193.08781 157.8
[M+HCOO]- 255.08875 167.0
[M+CH3COO]- 269.10440 247.1
[M+Na-2H]- 231.06522 162.5
[M]+ 210.09000 160.6
[M]- 210.09110 160.6
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.