CID 16641861

(1-aminopropan-2-yl)(benzyl)methylamine

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

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

InChI

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

InChIKey

LSPPTXRFKXECFR-UHFFFAOYSA-N

Compound name

2-N-benzyl-2-N-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.147 Da
Monoisotopic Mass: 1.3
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe