CID 6916254

5-(8-pentadecenyl)-1,3-benzenediol

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCCC/C=C/CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7+
InChIKey
TUGAUFMQYWZJAB-BQYQJAHWSA-N
Compound name
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

5
Patents

318.2559 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 184.3
[M+Na]+ 341.24512 194.6
[M+NH4]+ 336.28972 190.4
[M+K]+ 357.21906 185.5
[M-H]- 317.24862 185.0
[M+Na-2H]- 339.23057 187.2
[M]+ 318.25535 185.8
[M]- 318.25645 185.8
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