CID 14462138

1,3-dihydroxy-5-(6''-pentadecenyl)benzene

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]+ 319.263176 184.0
[M+Na]+ 341.245118 187.6
[M-H]- 317.248624 183.2
[M+NH4]+ 336.289723 197.6
[M+K]+ 357.219058 181.4
[M+H-H2O]+ 301.253160 176.8
[M+HCOO]- 363.254101 202.2
[M+CH3COO]- 377.269751 207.1
[M+Na-2H]- 339.230566 183.4
[M]+ 318.25535142 187.4
[M]- 318.25644858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.