CID 115292

22965-81-7

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CC(CN)C1=CNC2=C1C=C(C=C2)O

InChI

InChI=1S/C11H14N2O/c1-7(5-12)10-6-13-11-3-2-8(14)4-9(10)11/h2-4,6-7,13-14H,5,12H2,1H3

InChIKey

RPGDCRNUJYFGLT-UHFFFAOYSA-N

Compound name

3-(1-aminopropan-2-yl)-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 158
References: 1
Patents: 190.11061 Da
Monoisotopic Mass: 0.5
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]+	191.11789	141.0
[M+Na]+	213.09983	149.8
[M-H]-	189.10333	141.9
[M+NH4]+	208.14443	160.7
[M+K]+	229.07377	145.3
[M+H-H2O]+	173.10787	135.2
[M+HCOO]-	235.10881	162.4
[M+CH3COO]-	249.12446	181.5
[M+Na-2H]-	211.08528	145.7
[M]+	190.11006	139.3
[M]-	190.11116	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe