CID 52929824

26:2(5z,9z)(13me,17me,21me,25me)

Structural Information

Molecular Formula
C30H56O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C30H56O2/c1-26(2)18-15-20-28(4)22-17-24-29(5)23-16-21-27(3)19-13-11-9-7-6-8-10-12-14-25-30(31)32/h8-11,26-29H,6-7,12-25H2,1-5H3,(H,31,32)/b10-8-,11-9-
InChIKey
XXKPOMLIOKNRQN-WGEIWTTOSA-N
Compound name
(5Z,9Z)-13,17,21,25-tetramethylhexacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.42804 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.43532 231.0
[M+Na]+ 471.41726 232.6
[M-H]- 447.42076 213.9
[M+NH4]+ 466.46186 227.3
[M+K]+ 487.39120 222.1
[M+H-H2O]+ 431.42530 223.2
[M+HCOO]- 493.42624 224.0
[M+CH3COO]- 507.44189 239.8
[M+Na-2H]- 469.40271 218.8
[M]+ 448.42749 223.9
[M]- 448.42859 223.9
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

No patent data available for this compound.