CID 53954753

5-hydroxytryptophanol

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1=CC2=C(C=C1O)C(=CN2)C[C@@H](CO)N

InChI

InChI=1S/C11H14N2O2/c12-8(6-14)3-7-5-13-11-2-1-9(15)4-10(7)11/h1-2,4-5,8,13-15H,3,6,12H2/t8-/m0/s1

InChIKey

JGWFAZHKHZOMON-QMMMGPOBSA-N

Compound name

3-[(2S)-2-amino-3-hydroxypropyl]-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 206.10553 Da
Monoisotopic Mass: -0.4
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]+	207.11281	144.2
[M+Na]+	229.09475	154.6
[M+NH4]+	224.13935	151.3
[M+K]+	245.06869	151.7
[M-H]-	205.09825	144.5
[M+Na-2H]-	227.08020	148.1
[M]+	206.10498	145.4
[M]-	206.10608	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe