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

5
Patents

258.1831 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.190376 165.5
[M+Na]+ 281.172318 169.6
[M-H]- 257.175824 164.5
[M+NH4]+ 276.216923 182.4
[M+K]+ 297.146258 168.9
[M+H-H2O]+ 241.180360 159.3
[M+HCOO]- 303.181301 186.1
[M+CH3COO]- 317.196951 197.6
[M+Na-2H]- 279.157766 165.9
[M]+ 258.18255142 172.8
[M]- 258.18364858 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