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 153.6
[M+Na]+ 272.08933 162.6
[M-H]- 248.09283 156.0
[M+NH4]+ 267.13393 171.9
[M+K]+ 288.06327 160.1
[M+H-H2O]+ 232.09737 146.9
[M+HCOO]- 294.09831 176.1
[M+CH3COO]- 308.11396 191.0
[M+Na-2H]- 270.07478 158.4
[M]+ 249.09956 159.7
[M]- 249.10066 159.7
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.