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]+ 423.41966 223.9
[M+Na]+ 445.40160 221.3
[M-H]- 421.40510 209.1
[M+NH4]+ 440.44620 222.2
[M+K]+ 461.37554 216.6
[M+H-H2O]+ 405.40964 216.3
[M+HCOO]- 467.41058 219.2
[M+CH3COO]- 481.42623 235.5
[M+Na-2H]- 443.38705 212.6
[M]+ 422.41183 229.8
[M]- 422.41293 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.