CID 52929820

9,13,17,21-tetramethyl-5z-docosenoic acid

Structural Information

Molecular Formula
C26H50O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC/C=C\CCCC(=O)O
InChI
InChI=1S/C26H50O2/c1-22(2)14-11-16-24(4)18-13-20-25(5)19-12-17-23(3)15-9-7-6-8-10-21-26(27)28/h6-7,22-25H,8-21H2,1-5H3,(H,27,28)/b7-6-
InChIKey
PGZQYUXXHFRSFY-SREVYHEPSA-N
Compound name
(Z)-9,13,17,21-tetramethyldocos-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.38107 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 215.1
[M+Na]+ 417.37029 213.2
[M-H]- 393.37379 210.6
[M+NH4]+ 412.41489 215.1
[M+K]+ 433.34423 209.0
[M+H-H2O]+ 377.37833 207.8
[M+HCOO]- 439.37927 212.8
[M+CH3COO]- 453.39492 229.7
[M+Na-2H]- 415.35574 204.8
[M]+ 394.38052 220.2
[M]- 394.38162 220.2
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.