CID 3049692

2-propyn-1-amine, n,n-bis(1-methylethyl)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₁N

SMILES

CC(C)N(CC#CC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C15H21N/c1-13(2)16(14(3)4)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,13-14H,12H2,1-4H3

InChIKey

ZMJKSSYMVWEDMA-UHFFFAOYSA-N

Compound name

3-phenyl-N,N-di(propan-2-yl)prop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 215.1674 Da
Monoisotopic Mass: 3.8
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]+	216.174676	155.9
[M+Na]+	238.156618	162.7
[M-H]-	214.160124	158.4
[M+NH4]+	233.201223	172.6
[M+K]+	254.130558	159.3
[M+H-H2O]+	198.164660	143.1
[M+HCOO]-	260.165601	172.3
[M+CH3COO]-	274.181251	203.1
[M+Na-2H]-	236.142066	157.0
[M]+	215.16685142	150.8
[M]-	215.16794858	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.