CID 10426888

2-geranyl-4-isobutyrylphloroglucinol

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(C)C(=O)C1=C(C=C(C(=C1O)C/C=C(\C)/CCC=C(C)C)O)O
InChI
InChI=1S/C20H28O4/c1-12(2)7-6-8-14(5)9-10-15-16(21)11-17(22)18(20(15)24)19(23)13(3)4/h7,9,11,13,21-22,24H,6,8,10H2,1-5H3/b14-9+
InChIKey
TXDNBNXWWCEVMG-NTEUORMPSA-N
Compound name
1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

332.19876 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 181.3
[M+Na]+ 355.18798 186.1
[M-H]- 331.19148 180.5
[M+NH4]+ 350.23258 193.7
[M+K]+ 371.16192 181.9
[M+H-H2O]+ 315.19602 175.5
[M+HCOO]- 377.19696 195.1
[M+CH3COO]- 391.21261 209.9
[M+Na-2H]- 353.17343 174.8
[M]+ 332.19821 182.2
[M]- 332.19931 182.2
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.