CID 10684

526-53-4

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CO)N

InChI

InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2

InChIKey

UDQCRUSSQAXPJY-UHFFFAOYSA-N

Compound name

2-amino-3-(1H-indol-3-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 1196
Patents: 190.11061 Da
Monoisotopic Mass: 0.9
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]+	191.11789	140.7
[M+Na]+	213.09983	148.5
[M-H]-	189.10333	141.1
[M+NH4]+	208.14443	160.1
[M+K]+	229.07377	144.0
[M+H-H2O]+	173.10787	134.5
[M+HCOO]-	235.10881	162.1
[M+CH3COO]-	249.12446	180.3
[M+Na-2H]-	211.08528	146.1
[M]+	190.11006	138.6
[M]-	190.11116	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe