CID 38347272

Antibiotic ll-d253gamma

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

C[C@@H]1CC(=O)C2=C(C=C3C(=C2O1)CCO3)OC

InChI

InChI=1S/C13H14O4/c1-7-5-9(14)12-11(15-2)6-10-8(3-4-16-10)13(12)17-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1

InChIKey

BCRRDBKZXSRMHL-SSDOTTSWSA-N

Compound name

(2R)-5-methoxy-2-methyl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.0892 Da
Monoisotopic Mass: 1.8
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]+	235.096476	147.7
[M+Na]+	257.078418	157.1
[M-H]-	233.081924	154.8
[M+NH4]+	252.123023	167.4
[M+K]+	273.052358	156.8
[M+H-H2O]+	217.086460	142.8
[M+HCOO]-	279.087401	166.2
[M+CH3COO]-	293.103051	191.9
[M+Na-2H]-	255.063866	153.5
[M]+	234.08865142	150.9
[M]-	234.08974858	150.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.