CID 18071365

2-(ethoxycarbonyl)-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C12H11NO4
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)
InChIKey
CAVYPAYXEMVXMS-UHFFFAOYSA-N
Compound name
2-ethoxycarbonyl-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

233.0688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 149.6
[M+Na]+ 256.05802 160.7
[M+NH4]+ 251.10262 155.7
[M+K]+ 272.03196 158.3
[M-H]- 232.06152 148.6
[M+Na-2H]- 254.04347 153.1
[M]+ 233.06825 150.5
[M]- 233.06935 150.5
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