CID 440750

3-(6-hydroxyindol-3-yl)lactate

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

C1=CC2=C(C=C1O)NC=C2CC(C(=O)O)O

InChI

InChI=1S/C11H11NO4/c13-7-1-2-8-6(3-10(14)11(15)16)5-12-9(8)4-7/h1-2,4-5,10,12-14H,3H2,(H,15,16)

InChIKey

QVXYTCLWWRPFPW-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(6-hydroxy-1H-indol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.0688 Da
Monoisotopic Mass: 1.3
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]+	222.076076	145.9
[M+Na]+	244.058018	154.2
[M-H]-	220.061524	144.6
[M+NH4]+	239.102623	163.0
[M+K]+	260.031958	150.1
[M+H-H2O]+	204.066060	140.5
[M+HCOO]-	266.067001	163.5
[M+CH3COO]-	280.082651	178.9
[M+Na-2H]-	242.043466	149.1
[M]+	221.06825142	145.2
[M]-	221.06934858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe