CID 23352910

(1-amino-2,2-diethylbutyl)benzene

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CCC(CC)(CC)C(C1=CC=CC=C1)N

InChI

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

InChIKey

OHYXIBWEBUQQSL-UHFFFAOYSA-N

Compound name

2,2-diethyl-1-phenylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.18304 Da
Monoisotopic Mass: 3.6
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]+	206.19032	151.8
[M+Na]+	228.17226	156.5
[M-H]-	204.17576	154.3
[M+NH4]+	223.21686	170.4
[M+K]+	244.14620	153.8
[M+H-H2O]+	188.18030	145.7
[M+HCOO]-	250.18124	172.5
[M+CH3COO]-	264.19689	191.8
[M+Na-2H]-	226.15771	155.9
[M]+	205.18249	150.7
[M]-	205.18359	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe