CID 11769112

(2-amino-3-phenylpropyl)dimethylamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

InChI=1S/C11H18N2/c1-13(2)9-11(12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3

InChIKey

HKHSRJNAQHRMGT-UHFFFAOYSA-N

Compound name

1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 178.147 Da
Monoisotopic Mass: 1.4
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]+	179.15428	142.2
[M+Na]+	201.13622	152.8
[M+NH4]+	196.18082	151.1
[M+K]+	217.11016	146.5
[M-H]-	177.13972	146.0
[M+Na-2H]-	199.12167	149.2
[M]+	178.14645	144.7
[M]-	178.14755	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe