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

11
Patents

219.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.1
[M+Na]+ 242.07876 155.8
[M-H]- 218.08226 148.8
[M+NH4]+ 237.12336 165.8
[M+K]+ 258.05270 152.9
[M+H-H2O]+ 202.08680 139.9
[M+HCOO]- 264.08774 168.8
[M+CH3COO]- 278.10339 185.9
[M+Na-2H]- 240.06421 151.4
[M]+ 219.08899 150.5
[M]- 219.09009 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