CID 847730

81258-05-1

Structural Information

Molecular Formula
C13H11NO5
SMILES
COC1=C2C(=C3C(=C1)C=C(N3)C(=O)O)C(=O)CCO2
InChI
InChI=1S/C13H11NO5/c1-18-9-5-6-4-7(13(16)17)14-11(6)10-8(15)2-3-19-12(9)10/h4-5,14H,2-3H2,1H3,(H,16,17)
InChIKey
NDHDDHVSYQFPDN-UHFFFAOYSA-N
Compound name
5-methoxy-9-oxo-7,8-dihydro-1H-pyrano[2,3-g]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

261.06372 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 154.3
[M+Na]+ 284.05294 166.3
[M+NH4]+ 279.09754 160.9
[M+K]+ 300.02688 164.1
[M-H]- 260.05644 155.3
[M+Na-2H]- 282.03839 156.2
[M]+ 261.06317 156.0
[M]- 261.06427 156.0
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