CID 10358283

2-(5-((2z,5z,8z,11z)-tetradeca-2,5,8,11-tetraen-1-yl)furan-2-yl)-ethanoic acid

Structural Information

Molecular Formula
C20H26O3
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CC1=CC=C(O1)CC(=O)O
InChI
InChI=1S/C20H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-
InChIKey
ASCYUTAWNJPWQT-LTKCOYKYSA-N
Compound name
2-[5-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]furan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 182.0
[M+Na]+ 337.17742 186.6
[M-H]- 313.18092 183.3
[M+NH4]+ 332.22202 196.4
[M+K]+ 353.15136 181.0
[M+H-H2O]+ 297.18546 175.4
[M+HCOO]- 359.18640 201.8
[M+CH3COO]- 373.20205 203.1
[M+Na-2H]- 335.16287 180.6
[M]+ 314.18765 185.5
[M]- 314.18875 185.5
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.