CID 7138426

N-benzyl-n-methylputrescine

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CN(CCCCN)CC1=CC=CC=C1

InChI

InChI=1S/C12H20N2/c1-14(10-6-5-9-13)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11,13H2,1H3

InChIKey

LNKXNYGPRVTRQG-UHFFFAOYSA-N

Compound name

N'-benzyl-N'-methylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 192.16264 Da
Monoisotopic Mass: 1.5
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	146.3
[M+Na]+	215.15186	157.1
[M+NH4]+	210.19646	155.1
[M+K]+	231.12580	149.7
[M-H]-	191.15536	150.3
[M+Na-2H]-	213.13731	153.5
[M]+	192.16209	148.9
[M]-	192.16319	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe