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 145.6
[M+Na]+ 244.05802 157.6
[M+NH4]+ 239.10262 152.3
[M+K]+ 260.03196 154.9
[M-H]- 220.06152 145.2
[M+Na-2H]- 242.04347 149.6
[M]+ 221.06825 146.9
[M]- 221.06935 146.9
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