CID 123689

N8-acetylspermidine

Structural Information

Molecular Formula

C₉H₂₁N₃O

SMILES

CC(=O)NCCCCNCCCN

InChI

InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)

InChIKey

FONIWJIDLJEJTL-UHFFFAOYSA-N

Compound name

N-[4-(3-aminopropylamino)butyl]acetamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 43
References: 2273
Patents: 187.16846 Da
Monoisotopic Mass: -0.8
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]+	188.17574	146.0
[M+Na]+	210.15768	149.5
[M-H]-	186.16118	145.1
[M+NH4]+	205.20228	164.5
[M+K]+	226.13162	148.4
[M+H-H2O]+	170.16572	139.4
[M+HCOO]-	232.16666	170.6
[M+CH3COO]-	246.18231	191.7
[M+Na-2H]-	208.14313	149.8
[M]+	187.16791	144.9
[M]-	187.16901	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe