CID 6440797

2,4,6,8,10,12-tetradecahexaenedial

Structural Information

Molecular Formula
C14H14O2
SMILES
C(=C/C=C/C=C/C=O)\C=C\C=C\C=C\C=O
InChI
InChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKey
LSSFWUWIGASWGW-CZBFJCMTSA-N
Compound name
(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

214.09938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 148.9
[M+Na]+ 237.08860 155.7
[M-H]- 213.09210 148.3
[M+NH4]+ 232.13320 167.7
[M+K]+ 253.06254 149.6
[M+H-H2O]+ 197.09664 143.8
[M+HCOO]- 259.09758 172.4
[M+CH3COO]- 273.11323 184.3
[M+Na-2H]- 235.07405 152.2
[M]+ 214.09883 150.2
[M]- 214.09993 150.2
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.