CID 20961

4822-13-3

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

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

InChI

InChI=1S/C13H18N2O/c1-9(14-2)6-10-8-15-13-5-4-11(16-3)7-12(10)13/h4-5,7-9,14-15H,6H2,1-3H3

InChIKey

IYEMYZOLBLHKFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 218.1419 Da
Monoisotopic Mass: 1.5
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]+	219.149176	149.6
[M+Na]+	241.131118	157.9
[M-H]-	217.134624	151.9
[M+NH4]+	236.175723	169.1
[M+K]+	257.105058	154.1
[M+H-H2O]+	201.139160	143.0
[M+HCOO]-	263.140101	172.4
[M+CH3COO]-	277.155751	190.5
[M+Na-2H]-	239.116566	154.6
[M]+	218.14135142	151.4
[M]-	218.14244858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe