CID 63750378

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

Structural Information

Molecular Formula
C12H13NO3
SMILES
COCCN1C=CC2=C1C=CC(=C2)C(=O)O
InChI
InChI=1S/C12H13NO3/c1-16-7-6-13-5-4-9-8-10(12(14)15)2-3-11(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey
MNWYXWHBUCHHTF-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

219.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.096816 146.1
[M+Na]+ 242.078758 155.8
[M-H]- 218.082264 148.8
[M+NH4]+ 237.123363 165.8
[M+K]+ 258.052698 152.9
[M+H-H2O]+ 202.086800 139.9
[M+HCOO]- 264.087741 168.8
[M+CH3COO]- 278.103391 185.9
[M+Na-2H]- 240.064206 151.4
[M]+ 219.08899142 150.5
[M]- 219.09008858 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

No literature data available for this compound.

Patent stripe

patents stripe