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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.0
[M+Na]+ 213.05221 144.8
[M-H]- 189.05571 140.3
[M+NH4]+ 208.09681 158.1
[M+K]+ 229.02615 142.7
[M+H-H2O]+ 173.06025 131.4
[M+HCOO]- 235.06119 154.5
[M+CH3COO]- 249.07684 149.7
[M+Na-2H]- 211.03766 142.7
[M]+ 190.06244 136.1
[M]- 190.06354 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.