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]+ 222.07608 144.4
[M+Na]+ 244.05802 154.8
[M-H]- 220.06152 146.2
[M+NH4]+ 239.10262 163.4
[M+K]+ 260.03196 151.9
[M+H-H2O]+ 204.06606 138.7
[M+HCOO]- 266.06700 166.0
[M+CH3COO]- 280.08265 183.8
[M+Na-2H]- 242.04347 149.1
[M]+ 221.06825 148.4
[M]- 221.06935 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