CID 13307740

51460-23-2

Structural Information

Molecular Formula

C₈H₂₁N₃

SMILES

CN(CCCCN)CCCN

InChI

InChI=1S/C8H21N3/c1-11(8-4-6-10)7-3-2-5-9/h2-10H2,1H3

InChIKey

AJVLOCDDVDBRHR-UHFFFAOYSA-N

Compound name

N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 159.17355 Da
Monoisotopic Mass: -0.5
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]+	160.180826	140.0
[M+Na]+	182.162768	143.9
[M-H]-	158.166274	140.1
[M+NH4]+	177.207373	160.1
[M+K]+	198.136708	143.8
[M+H-H2O]+	142.170810	133.5
[M+HCOO]-	204.171751	165.3
[M+CH3COO]-	218.187401	190.1
[M+Na-2H]-	180.148216	143.6
[M]+	159.17300142	138.7
[M]-	159.17409858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe