CID 171579

Eboracin

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC1=C(C2(C(=O)C3=CC=CC=C3C2(N1)O)O)C(=O)OC
InChI
InChI=1S/C14H13NO5/c1-7-10(12(17)20-2)13(18)11(16)8-5-3-4-6-9(8)14(13,19)15-7/h3-6,15,18-19H,1-2H3
InChIKey
FVZIBKWWEYAZFF-UHFFFAOYSA-N
Compound name
methyl 3a,8b-dihydroxy-2-methyl-4-oxo-1H-indeno[1,2-b]pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

275.07938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 159.3
[M+Na]+ 298.06860 170.3
[M-H]- 274.07210 161.1
[M+NH4]+ 293.11320 182.2
[M+K]+ 314.04254 166.0
[M+H-H2O]+ 258.07664 156.1
[M+HCOO]- 320.07758 176.4
[M+CH3COO]- 334.09323 190.6
[M+Na-2H]- 296.05405 163.0
[M]+ 275.07883 161.5
[M]- 275.07993 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.