CID 146000934

(2e,6e,9e)-10-[(2r)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-3,7-dimethyl-deca-2,6,9-trienoic acid

Structural Information

Molecular Formula
C20H32O4
SMILES
C/C(=C\C(=O)O)/CC/C=C(\C)/C/C=C/[C@]1(CCC(O1)C(C)(C)O)C
InChI
InChI=1S/C20H32O4/c1-15(8-6-9-16(2)14-18(21)22)10-7-12-20(5)13-11-17(24-20)19(3,4)23/h7-8,12,14,17,23H,6,9-11,13H2,1-5H3,(H,21,22)/b12-7+,15-8+,16-14+/t17?,20-/m0/s1
InChIKey
GNUKGZCDYOYXSD-IRZVHNRFSA-N
Compound name
(2E,6E,9E)-10-[(2R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7-dimethyldeca-2,6,9-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.23007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 185.9
[M+Na]+ 359.219288 188.4
[M-H]- 335.222794 185.8
[M+NH4]+ 354.263893 200.6
[M+K]+ 375.193228 185.5
[M+H-H2O]+ 319.227330 182.1
[M+HCOO]- 381.228271 197.8
[M+CH3COO]- 395.243921 206.5
[M+Na-2H]- 357.204736 182.9
[M]+ 336.22952142 185.6
[M]- 336.23061858 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.