CID 47673

65548-63-2

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC1=C(N2C=CC=CC2=C1)CCCN

InChI

InChI=1S/C12H16N2/c1-10-9-11-5-2-3-8-14(11)12(10)6-4-7-13/h2-3,5,8-9H,4,6-7,13H2,1H3

InChIKey

VIGVDDNNUNTJAW-UHFFFAOYSA-N

Compound name

3-(2-methylindolizin-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.13135 Da
Monoisotopic Mass: 2.6
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	141.0
[M+Na]+	211.12057	154.2
[M+NH4]+	206.16517	150.3
[M+K]+	227.09451	148.2
[M-H]-	187.12407	144.0
[M+Na-2H]-	209.10602	147.8
[M]+	188.13080	143.7
[M]-	188.13190	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe