CID 215797

36286-18-7

Structural Information

Molecular Formula
C13H14O5
SMILES
COC1=C(C=C2C(=O)CC(C2=C1)CC(=O)O)OC
InChI
InChI=1S/C13H14O5/c1-17-11-5-8-7(4-13(15)16)3-10(14)9(8)6-12(11)18-2/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey
FRIJVUYNWCZXTJ-UHFFFAOYSA-N
Compound name
2-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 153.5
[M+Na]+ 273.07334 163.9
[M+NH4]+ 268.11794 160.1
[M+K]+ 289.04728 161.3
[M-H]- 249.07684 153.2
[M+Na-2H]- 271.05879 155.6
[M]+ 250.08357 154.6
[M]- 250.08467 154.6
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.