CID 52929821

24:1(5z)(11me,15me,19me,23me)

Structural Information

Molecular Formula
C28H54O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C28H54O2/c1-24(2)16-13-18-26(4)20-15-22-27(5)21-14-19-25(3)17-11-9-7-6-8-10-12-23-28(29)30/h6,8,24-27H,7,9-23H2,1-5H3,(H,29,30)/b8-6-
InChIKey
SSWITERJJRLGBX-VURMDHGXSA-N
Compound name
(Z)-11,15,19,23-tetramethyltetracos-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.41238 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.419656 223.9
[M+Na]+ 445.401598 221.3
[M-H]- 421.405104 209.1
[M+NH4]+ 440.446203 222.2
[M+K]+ 461.375538 216.6
[M+H-H2O]+ 405.409640 216.3
[M+HCOO]- 467.410581 219.2
[M+CH3COO]- 481.426231 235.5
[M+Na-2H]- 443.387046 212.6
[M]+ 422.41183142 229.8
[M]- 422.41292858 229.8
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

No patent data available for this compound.