CID 6454482

5-((z)-tridec-8-en-1-yl)resorcinol

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3/b6-5-
InChIKey
ILUMNMFPGSFYMK-WAYWQWQTSA-N
Compound name
5-[(Z)-tridec-8-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.22458 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 175.1
[M+Na]+ 313.213798 179.5
[M-H]- 289.217304 174.7
[M+NH4]+ 308.258403 189.8
[M+K]+ 329.187738 173.8
[M+H-H2O]+ 273.221840 168.3
[M+HCOO]- 335.222781 193.9
[M+CH3COO]- 349.238431 201.1
[M+Na-2H]- 311.199246 175.5
[M]+ 290.22403142 177.7
[M]- 290.22512858 177.7
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

patents stripe