CID 52929822

26:1(5z)(13me,17me,21me,25me)

Structural Information

Molecular Formula
C30H58O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCC/C=C\CCCC(=O)O
InChI
InChI=1S/C30H58O2/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/h8,10,26-29H,6-7,9,11-25H2,1-5H3,(H,31,32)/b10-8-
InChIKey
STMHMBGWESPKKM-NTMALXAHSA-N
Compound name
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.4437 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.45098 232.7
[M+Na]+ 473.43292 234.3
[M-H]- 449.43642 215.4
[M+NH4]+ 468.47752 229.3
[M+K]+ 489.40686 224.0
[M+H-H2O]+ 433.44096 224.7
[M+HCOO]- 495.44190 225.5
[M+CH3COO]- 509.45755 241.2
[M+Na-2H]- 471.41837 220.4
[M]+ 450.44315 226.4
[M]- 450.44425 226.4
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.