CID 3047142

62956-63-2

Structural Information

Molecular Formula
C12H12O5
SMILES
COC1=C(C=C2C(=O)CC(C2=C1)C(=O)O)OC
InChI
InChI=1S/C12H12O5/c1-16-10-4-6-7(5-11(10)17-2)9(13)3-8(6)12(14)15/h4-5,8H,3H2,1-2H3,(H,14,15)
InChIKey
HKEZILUHOKDPOY-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.06847 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07575 147.1
[M+Na]+ 259.05769 156.5
[M-H]- 235.06119 151.1
[M+NH4]+ 254.10229 167.5
[M+K]+ 275.03163 154.8
[M+H-H2O]+ 219.06573 142.3
[M+HCOO]- 281.06667 168.6
[M+CH3COO]- 295.08232 189.9
[M+Na-2H]- 257.04314 149.5
[M]+ 236.06792 151.1
[M]- 236.06902 151.1
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

patents stripe