CID 14282623

2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one

Structural Information

Molecular Formula
C16H22O4
SMILES
CCC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)C)O)O
InChI
InChI=1S/C16H22O4/c1-5-10(4)15(19)14-13(18)8-12(17)11(16(14)20)7-6-9(2)3/h6,8,10,17-18,20H,5,7H2,1-4H3
InChIKey
KYHKDOKSARWIDI-UHFFFAOYSA-N
Compound name
2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

278.1518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.159076 165.0
[M+Na]+ 301.141018 171.5
[M-H]- 277.144524 164.8
[M+NH4]+ 296.185623 179.7
[M+K]+ 317.114958 168.1
[M+H-H2O]+ 261.149060 159.7
[M+HCOO]- 323.150001 180.9
[M+CH3COO]- 337.165651 198.4
[M+Na-2H]- 299.126466 161.7
[M]+ 278.15125142 165.8
[M]- 278.15234858 165.8
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