CID 510118

4,7-dimethoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
COC1=C2C=C(NC2=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C11H11NO4/c1-15-8-3-4-9(16-2)10-6(8)5-7(12-10)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKey
FJWNGDWJFIQNEG-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

23
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

literature stripe

Patent stripe

patents stripe