CID 6444393

Sporostatin

Structural Information

Molecular Formula

C₁₄H₁₄O₅

SMILES

CC1C/C=C\C(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

InChI

InChI=1S/C14H14O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h2,4-5,7-8,15,17H,3,6H2,1H3/b4-2-

InChIKey

UCKXWYAPJJITRZ-RQOWECAXSA-N

Compound name

(6Z)-9,11-dihydroxy-4-methyl-4,5-dihydro-1H-3-benzoxecine-2,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 24
Patents: 262.08414 Da
Monoisotopic Mass: 2.3
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]+	263.09142	153.1
[M+Na]+	285.07336	162.2
[M-H]-	261.07686	154.0
[M+NH4]+	280.11796	166.2
[M+K]+	301.04730	160.8
[M+H-H2O]+	245.08140	150.9
[M+HCOO]-	307.08234	170.1
[M+CH3COO]-	321.09799	188.6
[M+Na-2H]-	283.05881	156.5
[M]+	262.08359	151.0
[M]-	262.08469	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe