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

literature stripe

Patent stripe

patents stripe