CID 121238751

2108442-33-5

Structural Information

Molecular Formula
C13H15NO4
SMILES
COCCN1C=CC2=C1C=CC=C2OCC(=O)O
InChI
InChI=1S/C13H15NO4/c1-17-8-7-14-6-5-10-11(14)3-2-4-12(10)18-9-13(15)16/h2-6H,7-9H2,1H3,(H,15,16)
InChIKey
ALNOEVTWLXECRD-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxyethyl)indol-4-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 154.4
[M+Na]+ 272.08933 166.1
[M+NH4]+ 267.13393 161.1
[M+K]+ 288.06327 162.4
[M-H]- 248.09283 154.3
[M+Na-2H]- 270.07478 158.7
[M]+ 249.09956 155.8
[M]- 249.10066 155.8
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.