CID 30359

20913-94-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

COC1=CC2=C(C=C1)NC=C2CC(CO)N

InChI

InChI=1S/C12H16N2O2/c1-16-10-2-3-12-11(5-10)8(6-14-12)4-9(13)7-15/h2-3,5-6,9,14-15H,4,7,13H2,1H3

InChIKey

ZTSHEMWPFPNRGQ-UHFFFAOYSA-N

Compound name

2-amino-3-(5-methoxy-1H-indol-3-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 220.12119 Da
Monoisotopic Mass: -0.1
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]+	221.128466	148.5
[M+Na]+	243.110408	156.6
[M-H]-	219.113914	149.1
[M+NH4]+	238.155013	166.9
[M+K]+	259.084348	152.5
[M+H-H2O]+	203.118450	142.2
[M+HCOO]-	265.119391	169.7
[M+CH3COO]-	279.135041	186.6
[M+Na-2H]-	241.095856	152.6
[M]+	220.12064142	148.5
[M]-	220.12173858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe