CID 6475217

(4e,6e,14e)-11-hydroxy-2,6,8,10,12,14-hexamethyl-9-oxohexadeca-4,6,14-trienoic acid

Structural Information

Molecular Formula
C22H36O4
SMILES
C/C=C(\C)/CC(C)C(C(C)C(=O)C(C)/C=C(\C)/C=C/CC(C)C(=O)O)O
InChI
InChI=1S/C22H36O4/c1-8-14(2)12-17(5)20(23)19(7)21(24)18(6)13-15(3)10-9-11-16(4)22(25)26/h8-10,13,16-20,23H,11-12H2,1-7H3,(H,25,26)/b10-9+,14-8+,15-13+
InChIKey
SVBYZDJRYNOEIV-QYJHQXRESA-N
Compound name
(4E,6E,14E)-11-hydroxy-2,6,8,10,12,14-hexamethyl-9-oxohexadeca-4,6,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

364.26135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26863 194.6
[M+Na]+ 387.25057 194.4
[M-H]- 363.25407 192.0
[M+NH4]+ 382.29517 200.6
[M+K]+ 403.22451 192.1
[M+H-H2O]+ 347.25861 189.3
[M+HCOO]- 409.25955 185.1
[M+CH3COO]- 423.27520 219.5
[M+Na-2H]- 385.23602 182.0
[M]+ 364.26080 194.6
[M]- 364.26190 194.6
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

patents stripe