CID 260803

17994-17-1

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)O)CCN

InChI

InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3

InChIKey

AZRQSPSPOGVDRQ-UHFFFAOYSA-N

Compound name

1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 24
Patents: 218.10553 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]+	219.11281	147.6
[M+Na]+	241.09475	157.5
[M-H]-	217.09825	150.1
[M+NH4]+	236.13935	167.2
[M+K]+	257.06869	153.7
[M+H-H2O]+	201.10279	141.5
[M+HCOO]-	263.10373	170.5
[M+CH3COO]-	277.11938	188.8
[M+Na-2H]-	239.08020	151.5
[M]+	218.10498	149.2
[M]-	218.10608	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe