CID 14235914

5-[(8e,11e)-heptadeca-8,11-dienyl]benzene-1,3-diol

Structural Information

Molecular Formula
C23H36O2
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C23H36O2/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/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6+,10-9+
InChIKey
LQLSZSURMCEKFF-AVQMFFATSA-N
Compound name
5-[(8E,11E)-heptadeca-8,11-dienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.27155 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.278826 191.6
[M+Na]+ 367.260768 194.7
[M-H]- 343.264274 190.5
[M+NH4]+ 362.305373 204.1
[M+K]+ 383.234708 187.4
[M+H-H2O]+ 327.268810 184.1
[M+HCOO]- 389.269751 209.3
[M+CH3COO]- 403.285401 211.6
[M+Na-2H]- 365.246216 190.0
[M]+ 344.27100142 194.9
[M]- 344.27209858 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.