CID 583972

3-(1h-indol-4-yloxy)propane-1,2-diol

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1=CC2=C(C=CN2)C(=C1)OCC(CO)O

InChI

InChI=1S/C11H13NO3/c13-6-8(14)7-15-11-3-1-2-10-9(11)4-5-12-10/h1-5,8,12-14H,6-7H2

InChIKey

FNZTVUHCYCHOFH-UHFFFAOYSA-N

Compound name

3-(1H-indol-4-yloxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 207.08954 Da
Monoisotopic Mass: 0.7
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]+	208.09682	143.4
[M+Na]+	230.07876	151.4
[M-H]-	206.08226	143.0
[M+NH4]+	225.12336	161.8
[M+K]+	246.05270	147.6
[M+H-H2O]+	190.08680	137.5
[M+HCOO]-	252.08774	163.2
[M+CH3COO]-	266.10339	177.6
[M+Na-2H]-	228.06421	148.9
[M]+	207.08899	144.0
[M]-	207.09009	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe