CID 214869

Phenethylamine, n,n-dimethyl-beta-isobutyl-

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CC(C)CC(CN(C)C)C1=CC=CC=C1

InChI

InChI=1S/C14H23N/c1-12(2)10-14(11-15(3)4)13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3

InChIKey

AAMDDCNNSJTACU-UHFFFAOYSA-N

Compound name

N,N,4-trimethyl-2-phenylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.18304 Da
Monoisotopic Mass: 3.7
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]+	206.190316	152.0
[M+Na]+	228.172258	156.1
[M-H]-	204.175764	156.3
[M+NH4]+	223.216863	171.3
[M+K]+	244.146198	155.3
[M+H-H2O]+	188.180300	145.2
[M+HCOO]-	250.181241	174.4
[M+CH3COO]-	264.196891	196.6
[M+Na-2H]-	226.157706	154.5
[M]+	205.18249142	153.0
[M]-	205.18358858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe