CID 11769315

41303-45-1

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC2=CC3=C(C=C2C(=O)C1)OCO3
InChI
InChI=1S/C11H10O3/c12-9-3-1-2-7-4-10-11(5-8(7)9)14-6-13-10/h4-5H,1-3,6H2
InChIKey
NTZLWARVWMHHEN-UHFFFAOYSA-N
Compound name
7,8-dihydro-6H-benzo[f][1,3]benzodioxol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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 135.0
[M+Na]+ 213.05221 143.6
[M-H]- 189.05571 141.7
[M+NH4]+ 208.09681 155.9
[M+K]+ 229.02615 143.2
[M+H-H2O]+ 173.06025 130.2
[M+HCOO]- 235.06119 154.1
[M+CH3COO]- 249.07684 149.2
[M+Na-2H]- 211.03766 143.1
[M]+ 190.06244 135.3
[M]- 190.06354 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe