CID 44567153

(5z,9z)-5,9-heptacosadienoic acid

Structural Information

Molecular Formula
C27H50O2
SMILES
CCCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C27H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h18-19,22-23H,2-17,20-21,24-26H2,1H3,(H,28,29)/b19-18-,23-22-
InChIKey
QHCUSXRHMXVISV-ZCIBKELESA-N
Compound name
(5Z,9Z)-heptacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.38107 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.38835 215.7
[M+Na]+ 429.37029 214.5
[M-H]- 405.37379 210.7
[M+NH4]+ 424.41489 213.3
[M+K]+ 445.34423 207.5
[M+H-H2O]+ 389.37833 207.6
[M+HCOO]- 451.37927 226.7
[M+CH3COO]- 465.39492 228.2
[M+Na-2H]- 427.35574 210.0
[M]+ 406.38052 223.0
[M]- 406.38162 223.0
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.