CID 18329066

2137450-21-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC1=CC=CC2=C1CC(N2)C(=O)O

InChI

InChI=1S/C10H11NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-4,8,11H,5H2,1H3,(H,12,13)

InChIKey

KUBHJAFGELKXJP-UHFFFAOYSA-N

Compound name

4-methoxy-2,3-dihydro-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 193.0739 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.08118	140.4
[M+Na]+	216.06312	150.9
[M+NH4]+	211.10772	147.8
[M+K]+	232.03706	148.1
[M-H]-	192.06662	140.1
[M+Na-2H]-	214.04857	143.6
[M]+	193.07335	141.5
[M]-	193.07445	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe