CID 15719517

5-((z)-pentadec-4-en-1-yl)resorcinol

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCCCCCCC/C=C\CCCC1=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/h11-12,16-18,22-23H,2-10,13-15H2,1H3/b12-11-
InChIKey
RWHCLPULTXTANR-QXMHVHEDSA-N
Compound name
5-[(Z)-pentadec-4-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2559 Da
Monoisotopic Mass

8.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.