CID 13259919

Cardol triene

Structural Information

Molecular Formula
C21H30O2
SMILES
C=CC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-
InChIKey
OOXBEOHCOCMKAC-UTOQUPLUSA-N
Compound name
5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

66
Patents

314.22458 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 181.3
[M+Na]+ 337.21380 185.5
[M-H]- 313.21730 180.6
[M+NH4]+ 332.25840 194.9
[M+K]+ 353.18774 178.1
[M+H-H2O]+ 297.22184 174.3
[M+HCOO]- 359.22278 199.8
[M+CH3COO]- 373.23843 204.9
[M+Na-2H]- 335.19925 180.7
[M]+ 314.22403 183.1
[M]- 314.22513 183.1
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