CID 428883

4'-oxaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0,2,6]decan]-8'-ene-3',5'-dione

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC12C3C=CC2C4C3C(=O)OC4=O

InChI

InChI=1S/C11H10O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h1-2,5-8H,3-4H2

InChIKey

KPGJKBBMROFHML-UHFFFAOYSA-N

Compound name

spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 190.06299 Da
Monoisotopic Mass: 1.1
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]+	191.070266	138.3
[M+Na]+	213.052208	150.7
[M-H]-	189.055714	147.1
[M+NH4]+	208.096813	161.4
[M+K]+	229.026148	147.5
[M+H-H2O]+	173.060250	136.3
[M+HCOO]-	235.061191	158.2
[M+CH3COO]-	249.076841	153.2
[M+Na-2H]-	211.037656	142.3
[M]+	190.06244142	143.2
[M]-	190.06353858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe