CID 66016

102-11-4

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CNCCN(C)CC1=CC=CC=C1

InChI

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

InChIKey

PVFIKWLTVKSXED-UHFFFAOYSA-N

Compound name

N'-benzyl-N,N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 184
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	141.8
[M+Na]+	201.13622	153.0
[M+NH4]+	196.18082	150.9
[M+K]+	217.11016	145.7
[M-H]-	177.13972	146.0
[M+Na-2H]-	199.12167	149.7
[M]+	178.14645	144.5
[M]-	178.14755	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe