CID 51352076

[10]-paradol

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCCCCCCCCCC(=O)CCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h14,16-17,23H,3-13,15H2,1-2H3
InChIKey
XNBUKRQGYHYOOP-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

334.2508 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 187.2
[M+Na]+ 357.24002 190.7
[M-H]- 333.24352 187.8
[M+NH4]+ 352.28462 200.5
[M+K]+ 373.21396 186.5
[M+H-H2O]+ 317.24806 179.5
[M+HCOO]- 379.24900 206.0
[M+CH3COO]- 393.26465 213.0
[M+Na-2H]- 355.22547 185.8
[M]+ 334.25025 193.3
[M]- 334.25135 193.3
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