CID 200033

D-3-6

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

CCCNC(C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C13H21N/c1-4-10-14-13(2,3)11-12-8-6-5-7-9-12/h5-9,14H,4,10-11H2,1-3H3

InChIKey

KZLGIIHMVBDWPK-UHFFFAOYSA-N

Compound name

2-methyl-1-phenyl-N-propylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.1674 Da
Monoisotopic Mass: 3.3
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]+	192.174676	146.4
[M+Na]+	214.156618	151.8
[M-H]-	190.160124	149.5
[M+NH4]+	209.201223	165.9
[M+K]+	230.130558	149.3
[M+H-H2O]+	174.164660	140.4
[M+HCOO]-	236.165601	169.2
[M+CH3COO]-	250.181251	188.7
[M+Na-2H]-	212.142066	153.4
[M]+	191.16685142	146.6
[M]-	191.16794858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe