CID 6483823

5-ethoxy-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
CCOC1=CC2=C(C=C1)NC(=C2C)C(=O)O
InChI
InChI=1S/C12H13NO3/c1-3-16-8-4-5-10-9(6-8)7(2)11(13-10)12(14)15/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKey
QGVRVUINZPXFMX-UHFFFAOYSA-N
Compound name
5-ethoxy-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 146.3
[M+Na]+ 242.078758 156.5
[M-H]- 218.082264 148.0
[M+NH4]+ 237.123363 165.6
[M+K]+ 258.052698 152.8
[M+H-H2O]+ 202.086800 140.7
[M+HCOO]- 264.087741 167.5
[M+CH3COO]- 278.103391 184.7
[M+Na-2H]- 240.064206 150.4
[M]+ 219.08899142 149.3
[M]- 219.09008858 149.3
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

No patent data available for this compound.