CID 43316527

1-(2-methoxyethyl)-1h-indole-4-carboxylic acid

Structural Information

Molecular Formula
C12H13NO3
SMILES
COCCN1C=CC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C12H13NO3/c1-16-8-7-13-6-5-9-10(12(14)15)3-2-4-11(9)13/h2-6H,7-8H2,1H3,(H,14,15)
InChIKey
UHQHOMJUEMAPIT-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)indole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
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

literature stripe

Patent stripe

patents stripe