CID 11629819

Artemicapin c

Structural Information

Molecular Formula

C₁₀H₆O₅

SMILES

C1OC2=C(C=C3C=CC(=O)OC3=C2O1)O

InChI

InChI=1S/C10H6O5/c11-6-3-5-1-2-7(12)15-8(5)10-9(6)13-4-14-10/h1-3,11H,4H2

InChIKey

BKFIQORTLXDLHQ-UHFFFAOYSA-N

Compound name

4-hydroxy-[1,3]dioxolo[4,5-h]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 206.02153 Da
Monoisotopic Mass: 1.4
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]+	207.02881	134.8
[M+Na]+	229.01075	146.2
[M-H]-	205.01425	142.1
[M+NH4]+	224.05535	153.4
[M+K]+	244.98469	147.0
[M+H-H2O]+	189.01879	130.5
[M+HCOO]-	251.01973	154.9
[M+CH3COO]-	265.03538	150.0
[M+Na-2H]-	226.99620	145.1
[M]+	206.02098	139.9
[M]-	206.02208	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe