CID 442919

Multifidol

Structural Information

Molecular Formula
C11H14O4
SMILES
CCC(C)C(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C11H14O4/c1-3-6(2)11(15)10-8(13)4-7(12)5-9(10)14/h4-6,12-14H,3H2,1-2H3
InChIKey
ASABIRFQGVWRDC-UHFFFAOYSA-N
Compound name
2-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

22
Patents

210.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 144.6
[M+Na]+ 233.07842 152.2
[M-H]- 209.08192 144.8
[M+NH4]+ 228.12302 161.8
[M+K]+ 249.05236 149.8
[M+H-H2O]+ 193.08646 139.6
[M+HCOO]- 255.08740 163.0
[M+CH3COO]- 269.10305 182.5
[M+Na-2H]- 231.06387 145.7
[M]+ 210.08865 144.6
[M]- 210.08975 144.6
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