CID 13544698

Benzyl(methyl)[3-(methylamino)propyl]amine

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CNCCCN(C)CC1=CC=CC=C1

InChI

InChI=1S/C12H20N2/c1-13-9-6-10-14(2)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3

InChIKey

CDRZWWQEJJUXDS-UHFFFAOYSA-N

Compound name

N'-benzyl-N,N'-dimethylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 192.16264 Da
Monoisotopic Mass: 1.7
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]+	193.16992	145.9
[M+Na]+	215.15186	150.4
[M-H]-	191.15536	150.2
[M+NH4]+	210.19646	165.4
[M+K]+	231.12580	149.1
[M+H-H2O]+	175.15990	138.7
[M+HCOO]-	237.16084	172.0
[M+CH3COO]-	251.17649	193.7
[M+Na-2H]-	213.13731	152.3
[M]+	192.16209	146.6
[M]-	192.16319	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe