CID 53990585

4-me-alphamt

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC1=C2C(=CC=C1)NC=C2CC(C)N

InChI

InChI=1S/C12H16N2/c1-8-4-3-5-11-12(8)10(7-14-11)6-9(2)13/h3-5,7,9,14H,6,13H2,1-2H3

InChIKey

KEOYEGHPRBDSKD-UHFFFAOYSA-N

Compound name

1-(4-methyl-1H-indol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.13135 Da
Monoisotopic Mass: 2.2
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]+	189.13863	142.2
[M+Na]+	211.12057	151.2
[M-H]-	187.12407	144.3
[M+NH4]+	206.16517	162.9
[M+K]+	227.09451	146.7
[M+H-H2O]+	171.12861	136.1
[M+HCOO]-	233.12955	164.6
[M+CH3COO]-	247.14520	184.8
[M+Na-2H]-	209.10602	146.8
[M]+	188.13080	141.3
[M]-	188.13190	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe