CID 14462138

Schembl2370035

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCCCCCCCCCC/C=C/C1=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/h14-18,22-23H,2-13H2,1H3/b15-14+
InChIKey
XEXMMBWLUSSHKB-CCEZHUSRSA-N
Compound name
5-[(E)-pentadec-1-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2559 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 184.0
[M+Na]+ 341.24512 187.6
[M-H]- 317.24862 183.2
[M+NH4]+ 336.28972 197.6
[M+K]+ 357.21906 181.4
[M+H-H2O]+ 301.25316 176.8
[M+HCOO]- 363.25410 202.2
[M+CH3COO]- 377.26975 207.1
[M+Na-2H]- 339.23057 183.4
[M]+ 318.25535 187.4
[M]- 318.25645 187.4
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