CID 7131354

5,7-dimethoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=CC(=C2C(=C1)C=C(N2)C(=O)O)OC
InChI
InChI=1S/C11H11NO4/c1-15-7-3-6-4-8(11(13)14)12-10(6)9(5-7)16-2/h3-5,12H,1-2H3,(H,13,14)
InChIKey
DJCNCVPGFAPGKP-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

221.0688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 144.4
[M+Na]+ 244.058018 154.8
[M-H]- 220.061524 146.2
[M+NH4]+ 239.102623 163.4
[M+K]+ 260.031958 151.9
[M+H-H2O]+ 204.066060 138.7
[M+HCOO]- 266.067001 166.0
[M+CH3COO]- 280.082651 183.8
[M+Na-2H]- 242.043466 149.1
[M]+ 221.06825142 148.4
[M]- 221.06934858 148.4
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