CID 205362

6-methoxy-3-oxo-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H10O4
SMILES
COC1=CC2=C(C=C1)C(=O)CC2C(=O)O
InChI
InChI=1S/C11H10O4/c1-15-6-2-3-7-8(4-6)9(11(13)14)5-10(7)12/h2-4,9H,5H2,1H3,(H,13,14)
InChIKey
RQQOLRQCNYYVOL-UHFFFAOYSA-N
Compound name
6-methoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 140.4
[M+Na]+ 229.04712 149.7
[M-H]- 205.05062 144.3
[M+NH4]+ 224.09172 161.9
[M+K]+ 245.02106 147.4
[M+H-H2O]+ 189.05516 135.8
[M+HCOO]- 251.05610 162.2
[M+CH3COO]- 265.07175 183.4
[M+Na-2H]- 227.03257 143.9
[M]+ 206.05735 142.2
[M]- 206.05845 142.2
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