CID 204289

Phenethylamine, p-butyl-n,alpha-dimethyl-

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCCCC1=CC=C(C=C1)CC(C)NC

InChI

InChI=1S/C14H23N/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)15-3/h7-10,12,15H,4-6,11H2,1-3H3

InChIKey

ZOXAHWSRWGUDDX-UHFFFAOYSA-N

Compound name

1-(4-butylphenyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.18304 Da
Monoisotopic Mass: 4.0
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]+	206.190316	151.2
[M+Na]+	228.172258	156.3
[M-H]-	204.175764	154.2
[M+NH4]+	223.216863	170.3
[M+K]+	244.146198	153.6
[M+H-H2O]+	188.180300	144.7
[M+HCOO]-	250.181241	174.1
[M+CH3COO]-	264.196891	193.3
[M+Na-2H]-	226.157706	155.1
[M]+	205.18249142	151.9
[M]-	205.18358858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe