CID 14562695

De-o-methyllasiodiplodin

Structural Information

Molecular Formula

C₁₆H₂₂O₄

SMILES

C[C@H]1CCCCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1

InChI

InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m0/s1

InChIKey

NFEVFCAOVZCHBN-NSHDSACASA-N

Compound name

(4S)-14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 278.1518 Da
Monoisotopic Mass: 5.0
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]+	279.159076	162.4
[M+Na]+	301.141018	168.1
[M-H]-	277.144524	162.6
[M+NH4]+	296.185623	174.4
[M+K]+	317.114958	166.5
[M+H-H2O]+	261.149060	159.9
[M+HCOO]-	323.150001	175.9
[M+CH3COO]-	337.165651	190.1
[M+Na-2H]-	299.126466	164.0
[M]+	278.15125142	155.9
[M]-	278.15234858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.