CID 43316636

1096307-72-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1=CC(=C2C=CN(C2=C1)CCO)C(=O)O

InChI

InChI=1S/C11H11NO3/c13-7-6-12-5-4-8-9(11(14)15)2-1-3-10(8)12/h1-5,13H,6-7H2,(H,14,15)

InChIKey

KSBPBOFSCVHVBY-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)indole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.0739 Da
Monoisotopic Mass: 0.8
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]+	206.081176	141.9
[M+Na]+	228.063118	151.6
[M-H]-	204.066624	143.3
[M+NH4]+	223.107723	161.4
[M+K]+	244.037058	148.0
[M+H-H2O]+	188.071160	136.1
[M+HCOO]-	250.072101	163.4
[M+CH3COO]-	264.087751	180.4
[M+Na-2H]-	226.048566	147.2
[M]+	205.07335142	144.1
[M]-	205.07444858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe