CID 496

N1-acetylspermidine

Structural Information

Molecular Formula

C₉H₂₁N₃O

SMILES

CC(=O)NCCCNCCCCN

InChI

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

InChIKey

MQTAVJHICJWXBR-UHFFFAOYSA-N

Compound name

N-[3-(4-aminobutylamino)propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 126
References: 844
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	145.6
[M+Na]+	210.15768	151.6
[M+NH4]+	205.20228	151.8
[M+K]+	226.13162	146.7
[M-H]-	186.16118	145.6
[M+Na-2H]-	208.14313	147.5
[M]+	187.16791	145.8
[M]-	187.16901	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe