CID 14967333

151813-29-5

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC2CCC1C3=C2C(=O)OC3=O

InChI

InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h5-6H,1-4H2

InChIKey

ZECOOENHOVXEDD-UHFFFAOYSA-N

Compound name

4-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
Patents: 178.06299 Da
Monoisotopic Mass: 1.7
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]+	179.07027	129.9
[M+Na]+	201.05221	136.7
[M-H]-	177.05571	130.7
[M+NH4]+	196.09681	155.3
[M+K]+	217.02615	135.4
[M+H-H2O]+	161.06025	126.0
[M+HCOO]-	223.06119	143.3
[M+CH3COO]-	237.07684	142.7
[M+Na-2H]-	199.03766	139.5
[M]+	178.06244	132.4
[M]-	178.06354	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe