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

1
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

patents stripe