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]+ 211.097826 166.0
[M+Na]+ 233.079768 170.2
[M-H]- 209.083274 169.7
[M+NH4]+ 228.124373 169.8
[M+K]+ 249.053708 168.9
[M+H-H2O]+ 193.087810 157.8
[M+HCOO]- 255.088751 167.0
[M+CH3COO]- 269.104401 247.1
[M+Na-2H]- 231.065216 162.5
[M]+ 210.09000142 160.6
[M]- 210.09109858 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.