CID 6437313

1,1,6,6-tetraethoxy-2,4-hexadiene

Structural Information

Molecular Formula
C14H26O4
SMILES
CCOC(OCC)/C=C/C=C/C(OCC)OCC
InChI
InChI=1S/C14H26O4/c1-5-15-13(16-6-2)11-9-10-12-14(17-7-3)18-8-4/h9-14H,5-8H2,1-4H3/b11-9+,12-10+
InChIKey
ACPZXXNPYPSAKR-WGDLNXRISA-N
Compound name
(2E,4E)-1,1,6,6-tetraethoxyhexa-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.1831 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 165.5
[M+Na]+ 281.17232 169.6
[M-H]- 257.17582 164.5
[M+NH4]+ 276.21692 182.4
[M+K]+ 297.14626 168.9
[M+H-H2O]+ 241.18036 159.3
[M+HCOO]- 303.18130 186.1
[M+CH3COO]- 317.19695 197.6
[M+Na-2H]- 279.15777 165.9
[M]+ 258.18255 172.8
[M]- 258.18365 172.8
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

patents stripe