CID 4283

N(1), n(12)-diethylspermine

Structural Information

Molecular Formula

C₁₄H₃₄N₄

SMILES

CCNCCCNCCCCNCCCNCC

InChI

InChI=1S/C14H34N4/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2/h15-18H,3-14H2,1-2H3

InChIKey

PGMIWVSHZMWSSI-UHFFFAOYSA-N

Compound name

N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 53
References: 282
Patents: 258.27835 Da
Monoisotopic Mass: 0.7
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]+	259.28563	167.7
[M+Na]+	281.26757	172.3
[M+NH4]+	276.31217	173.5
[M+K]+	297.24151	165.2
[M-H]-	257.27107	168.8
[M+Na-2H]-	279.25302	169.4
[M]+	258.27780	168.0
[M]-	258.27890	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe