CID 58946

101831-90-7

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

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

InChI

InChI=1S/C14H20N2O/c1-10(16(2)3)7-11-9-15-14-6-5-12(17-4)8-13(11)14/h5-6,8-10,15H,7H2,1-4H3

InChIKey

WDKDEBAFCKHQPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.15756 Da
Monoisotopic Mass: 1.9
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]+	233.16484	154.6
[M+Na]+	255.14678	162.5
[M-H]-	231.15028	158.2
[M+NH4]+	250.19138	174.2
[M+K]+	271.12072	159.9
[M+H-H2O]+	215.15482	147.6
[M+HCOO]-	277.15576	177.5
[M+CH3COO]-	291.17141	197.0
[M+Na-2H]-	253.13223	158.3
[M]+	232.15701	158.0
[M]-	232.15811	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe