CID 59015

101832-83-1

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CCOC1=CC2=C(C=C1)NC=C2CC(C)N

InChI

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

InChIKey

RITFDCUITFOSHK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.1419 Da
Monoisotopic Mass: 1.3
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	150.0
[M+Na]+	241.131118	158.4
[M-H]-	217.134624	151.9
[M+NH4]+	236.175723	169.4
[M+K]+	257.105058	154.3
[M+H-H2O]+	201.139160	143.5
[M+HCOO]-	263.140101	172.2
[M+CH3COO]-	277.155751	189.9
[M+Na-2H]-	239.116566	154.1
[M]+	218.14135142	150.9
[M]-	218.14244858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe