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]+ 251.091396 151.8
[M+Na]+ 273.073338 160.8
[M-H]- 249.076844 155.7
[M+NH4]+ 268.117943 171.7
[M+K]+ 289.047278 158.8
[M+H-H2O]+ 233.081380 146.9
[M+HCOO]- 295.082321 173.1
[M+CH3COO]- 309.097971 192.9
[M+Na-2H]- 271.058786 153.8
[M]+ 250.08357142 156.2
[M]- 250.08466858 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.