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

2
Patents

290.22458 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 175.1
[M+Na]+ 313.21380 179.5
[M-H]- 289.21730 174.7
[M+NH4]+ 308.25840 189.8
[M+K]+ 329.18774 173.8
[M+H-H2O]+ 273.22184 168.3
[M+HCOO]- 335.22278 193.9
[M+CH3COO]- 349.23843 201.1
[M+Na-2H]- 311.19925 175.5
[M]+ 290.22403 177.7
[M]- 290.22513 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