CID 20056305

Schembl3383079

Structural Information

Molecular Formula
C20H20O2
SMILES
C/C=C/C=C\C=C\C=C/C1=CC=CC=C1/C=C/C=C/C(=O)O
InChI
InChI=1S/C20H20O2/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)16-11-12-17-20(21)22/h2-17H,1H3,(H,21,22)/b3-2+,5-4-,7-6+,13-8-,16-11+,17-12+
InChIKey
WDDIDKVGAUZJRA-DZXROGOMSA-N
Compound name
(2E,4E)-5-[2-[(1Z,3E,5Z,7E)-nona-1,3,5,7-tetraenyl]phenyl]penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

292.14633 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15361 172.1
[M+Na]+ 315.13555 177.6
[M-H]- 291.13905 173.1
[M+NH4]+ 310.18015 187.0
[M+K]+ 331.10949 169.3
[M+H-H2O]+ 275.14359 165.4
[M+HCOO]- 337.14453 192.4
[M+CH3COO]- 351.16018 198.1
[M+Na-2H]- 313.12100 172.1
[M]+ 292.14578 171.4
[M]- 292.14688 171.4
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

patents stripe