CID 24211

(-)-usnic acid

Structural Information

Molecular Formula

C₁₈H₁₆O₇

SMILES

CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O

InChI

InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3

InChIKey

WEYVVCKOOFYHRW-UHFFFAOYSA-N

Compound name

2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 41
References: 2101
Patents: 344.0896 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.096876	172.6
[M+Na]+	367.078818	183.8
[M-H]-	343.082324	176.5
[M+NH4]+	362.123423	189.4
[M+K]+	383.052758	181.7
[M+H-H2O]+	327.086860	169.2
[M+HCOO]-	389.087801	187.0
[M+CH3COO]-	403.103451	211.7
[M+Na-2H]-	365.064266	173.1
[M]+	344.08905142	178.3
[M]-	344.09014858	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe