CID 13411738

2-methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-1-propanone

Structural Information

Molecular Formula
C15H20O4
SMILES
CC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)C)O)O
InChI
InChI=1S/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3
InChIKey
IOBXAMCSYCVNET-UHFFFAOYSA-N
Compound name
2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

20
Patents

264.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 160.4
[M+Na]+ 287.125388 167.3
[M-H]- 263.128894 160.4
[M+NH4]+ 282.169993 175.6
[M+K]+ 303.099328 164.1
[M+H-H2O]+ 247.133430 155.2
[M+HCOO]- 309.134371 176.6
[M+CH3COO]- 323.150021 195.4
[M+Na-2H]- 285.110836 157.6
[M]+ 264.13562142 160.8
[M]- 264.13671858 160.8
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