CID 14235913

5-((8z,11z)-heptadeca-8,11-dien-1-yl)resorcinol

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-HZJYTTRNSA-N
Compound name
5-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
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]+ 345.27883 191.6
[M+Na]+ 367.26077 194.7
[M-H]- 343.26427 190.5
[M+NH4]+ 362.30537 204.1
[M+K]+ 383.23471 187.4
[M+H-H2O]+ 327.26881 184.1
[M+HCOO]- 389.26975 209.3
[M+CH3COO]- 403.28540 211.6
[M+Na-2H]- 365.24622 190.0
[M]+ 344.27100 194.9
[M]- 344.27210 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

literature stripe

Patent stripe

No patent data available for this compound.