CID 331550

Nsc352376

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC2(CCC(=O)O2)C=CC1=O
InChI
InChI=1S/C10H10O4/c1-13-8-6-10(4-2-7(8)11)5-3-9(12)14-10/h2,4,6H,3,5H2,1H3
InChIKey
UGISCYWZMNGZNT-UHFFFAOYSA-N
Compound name
7-methoxy-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 136.0
[M+Na]+ 217.04712 145.2
[M-H]- 193.05062 143.0
[M+NH4]+ 212.09172 158.4
[M+K]+ 233.02106 144.9
[M+H-H2O]+ 177.05516 131.4
[M+HCOO]- 239.05610 158.5
[M+CH3COO]- 253.07175 179.6
[M+Na-2H]- 215.03257 142.5
[M]+ 194.05735 137.1
[M]- 194.05845 137.1
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.