CID 361583

Nsc624764

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC(=O)C2=C(C=CC3=C2C1CO3)O

InChI

InChI=1S/C11H10O3/c12-7-2-1-6-5-14-9-4-3-8(13)11(7)10(6)9/h3-4,6,13H,1-2,5H2

InChIKey

WOBVNCFUNRKOBY-UHFFFAOYSA-N

Compound name

9-hydroxy-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.06299 Da
Monoisotopic Mass: 1.8
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	136.0
[M+Na]+	213.052208	144.8
[M-H]-	189.055714	140.3
[M+NH4]+	208.096813	158.1
[M+K]+	229.026148	142.7
[M+H-H2O]+	173.060250	131.4
[M+HCOO]-	235.061191	154.5
[M+CH3COO]-	249.076841	149.7
[M+Na-2H]-	211.037656	142.7
[M]+	190.06244142	136.1
[M]-	190.06353858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.