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 151.8
[M+Na]+ 273.07334 160.8
[M-H]- 249.07684 155.7
[M+NH4]+ 268.11794 171.7
[M+K]+ 289.04728 158.8
[M+H-H2O]+ 233.08138 146.9
[M+HCOO]- 295.08232 173.1
[M+CH3COO]- 309.09797 192.9
[M+Na-2H]- 271.05879 153.8
[M]+ 250.08357 156.2
[M]- 250.08467 156.2
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

No patent data available for this compound.