CID 6494649

883548-14-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC1=CC(=C2C(=C1)C(=C(N2)C)C)CN

InChI

InChI=1S/C12H16N2/c1-7-4-10(6-13)12-11(5-7)8(2)9(3)14-12/h4-5,14H,6,13H2,1-3H3

InChIKey

HZZZEHAXBWZLDU-UHFFFAOYSA-N

Compound name

(2,3,5-trimethyl-1H-indol-7-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 188.13135 Da
Monoisotopic Mass: 2.0
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	141.7
[M+Na]+	211.12057	152.8
[M-H]-	187.12407	144.5
[M+NH4]+	206.16517	163.1
[M+K]+	227.09451	147.9
[M+H-H2O]+	171.12861	136.1
[M+HCOO]-	233.12955	165.0
[M+CH3COO]-	247.14520	186.4
[M+Na-2H]-	209.10602	146.0
[M]+	188.13080	142.2
[M]-	188.13190	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.