CID 9543646

2,4,6-trimethyl-2,15-tetracosadienoic acid

Structural Information

Molecular Formula
C27H50O2
SMILES
CCCCCCCC/C=C/CCCCCCCCC(C)CC(C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C27H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h12-13,23-25H,5-11,14-22H2,1-4H3,(H,28,29)/b13-12+,26-23+
InChIKey
KPNSOKYZIINHDY-GVKIQVMWSA-N
Compound name
(2E,15E)-2,4,6-trimethyltetracosa-2,15-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.38107 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.38835 217.8
[M+Na]+ 429.37029 216.1
[M-H]- 405.37379 213.1
[M+NH4]+ 424.41489 216.0
[M+K]+ 445.34423 210.5
[M+H-H2O]+ 389.37833 210.2
[M+HCOO]- 451.37927 217.7
[M+CH3COO]- 465.39492 230.4
[M+Na-2H]- 427.35574 208.3
[M]+ 406.38052 223.1
[M]- 406.38162 223.1
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.