CID 5312333

10,10-dimethyl-5z,8z,11z-eicosatrienoic acid

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCCCCC/C=C\C(C)(C)/C=C\C/C=C\CCCC(=O)O
InChI
InChI=1S/C22H38O2/c1-4-5-6-7-8-10-13-16-19-22(2,3)20-17-14-11-9-12-15-18-21(23)24/h9,11,16-17,19-20H,4-8,10,12-15,18H2,1-3H3,(H,23,24)/b11-9-,19-16-,20-17-
InChIKey
LLCQZWJYJNOTQP-DASAETRHSA-N
Compound name
(5Z,8Z,11Z)-10,10-dimethylicosa-5,8,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.28717 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 192.4
[M+Na]+ 357.27639 194.3
[M-H]- 333.27989 188.9
[M+NH4]+ 352.32099 205.8
[M+K]+ 373.25033 188.4
[M+H-H2O]+ 317.28443 186.3
[M+HCOO]- 379.28537 208.3
[M+CH3COO]- 393.30102 212.2
[M+Na-2H]- 355.26184 190.2
[M]+ 334.28662 196.7
[M]- 334.28772 196.7
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.