CID 56935823

6-bromo-24-methyl-pentacosa-5e,9z-dienoic acid

Structural Information

Molecular Formula
C26H47BrO2
SMILES
CC(C)CCCCCCCCCCCCC/C=C\CC/C(=C\CCCC(=O)O)/Br
InChI
InChI=1S/C26H47BrO2/c1-24(2)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-25(27)22-18-19-23-26(28)29/h13,15,22,24H,3-12,14,16-21,23H2,1-2H3,(H,28,29)/b15-13-,25-22+
InChIKey
ZAGMEIUCTJURSH-ASIOATAHSA-N
Compound name
(5E,9Z)-6-bromo-24-methylpentacosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.27594 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.28322 223.3
[M+Na]+ 493.26516 225.7
[M-H]- 469.26866 221.4
[M+NH4]+ 488.30976 238.8
[M+K]+ 509.23910 210.1
[M+H-H2O]+ 453.27320 220.5
[M+HCOO]- 515.27414 243.6
[M+CH3COO]- 529.28979 233.3
[M+Na-2H]- 491.25061 216.6
[M]+ 470.27539 246.4
[M]- 470.27649 246.4
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.