CID 11573713

5-heptadeca-8'z,11'z,16-trienylresorcinol

Structural Information

Molecular Formula
C23H34O2
SMILES
C=CCCC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h2,6-7,9-10,18-20,24-25H,1,3-5,8,11-17H2/b7-6-,10-9-
InChIKey
MFQASGNLRRKBQG-HZJYTTRNSA-N
Compound name
5-[(8Z,11Z)-heptadeca-8,11,16-trienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

342.2559 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 190.1
[M+Na]+ 365.24512 193.4
[M-H]- 341.24862 189.0
[M+NH4]+ 360.28972 202.5
[M+K]+ 381.21906 185.5
[M+H-H2O]+ 325.25316 182.7
[M+HCOO]- 387.25410 208.0
[M+CH3COO]- 401.26975 210.9
[M+Na-2H]- 363.23057 188.5
[M]+ 342.25535 192.7
[M]- 342.25645 192.7
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