CID 36906

1016-44-0

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CC(CC1=CNC2=C1C=C(C=C2)OC)N

InChI

InChI=1S/C12H16N2O/c1-8(13)5-9-7-14-12-4-3-10(15-2)6-11(9)12/h3-4,6-8,14H,5,13H2,1-2H3

InChIKey

OGNJZVNNKBZFRM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 581
Patents: 204.12627 Da
Monoisotopic Mass: 1.0
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]+	205.13355	144.9
[M+Na]+	227.11549	156.7
[M+NH4]+	222.16009	153.2
[M+K]+	243.08943	152.4
[M-H]-	203.11899	146.8
[M+Na-2H]-	225.10094	150.3
[M]+	204.12572	147.0
[M]-	204.12682	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe