CID 4067375

75942-39-1

Structural Information

Molecular Formula
C24H36N2O2
SMILES
CCCCCCCCOC1=C(C(=C(C=C1)OCCCCCCCC)C#N)C#N
InChI
InChI=1S/C24H36N2O2/c1-3-5-7-9-11-13-17-27-23-15-16-24(22(20-26)21(23)19-25)28-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3
InChIKey
GKGPSCRTAALNMD-UHFFFAOYSA-N
Compound name
3,6-dioctoxybenzene-1,2-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27768 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28496 201.9
[M+Na]+ 407.26690 209.4
[M+NH4]+ 402.31150 201.2
[M+K]+ 423.24084 197.1
[M-H]- 383.27040 191.7
[M+Na-2H]- 405.25235 199.2
[M]+ 384.27713 198.8
[M]- 384.27823 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.