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: 73
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]+	160.18083	140.0
[M+Na]+	182.16277	143.9
[M-H]-	158.16627	140.1
[M+NH4]+	177.20737	160.1
[M+K]+	198.13671	143.8
[M+H-H2O]+	142.17081	133.5
[M+HCOO]-	204.17175	165.3
[M+CH3COO]-	218.18740	190.1
[M+Na-2H]-	180.14822	143.6
[M]+	159.17300	138.7
[M]-	159.17410	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe