CID 25927

13366-47-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CN1C=C(C2=CC=CC=C21)CCN(C)C

InChI

InChI=1S/C13H18N2/c1-14(2)9-8-11-10-15(3)13-7-5-4-6-12(11)13/h4-7,10H,8-9H2,1-3H3

InChIKey

WYFWKMQPMCPKLZ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 15
Patents: 202.147 Da
Monoisotopic Mass: 2.3
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]+	203.15428	145.7
[M+Na]+	225.13622	155.0
[M-H]-	201.13972	150.9
[M+NH4]+	220.18082	167.5
[M+K]+	241.11016	152.5
[M+H-H2O]+	185.14426	138.7
[M+HCOO]-	247.14520	171.3
[M+CH3COO]-	261.16085	193.7
[M+Na-2H]-	223.12167	151.6
[M]+	202.14645	149.9
[M]-	202.14755	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe