CID 139594147

Hydroxyanhydroverlotorin

Structural Information

Molecular Formula

C₁₅H₁₈O₄

SMILES

C/C/1=C/[C@H]2[C@@H](CCC(=C)C(=O)C[C@@H]1O)C(=C)C(=O)O2

InChI

InChI=1S/C15H18O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11,13-14,17H,1,3-5,7H2,2H3/b9-6-/t11-,13-,14-/m0/s1

InChIKey

AGPIUDYJZWWHMF-KZHVDECXSA-N

Compound name

(3aS,9S,10Z,11aS)-9-hydroxy-10-methyl-3,6-dimethylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1205 Da
Monoisotopic Mass: 1.0
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]+	263.127776	154.0
[M+Na]+	285.109718	162.6
[M-H]-	261.113224	155.8
[M+NH4]+	280.154323	169.9
[M+K]+	301.083658	160.2
[M+H-H2O]+	245.117760	153.4
[M+HCOO]-	307.118701	170.2
[M+CH3COO]-	321.134351	192.1
[M+Na-2H]-	283.095166	152.8
[M]+	262.11995142	149.6
[M]-	262.12104858	149.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.