CID 25164106

N-(3-acetamidopropyl)-4-ammoniobutanal

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(=O)NCCCNCCCC=O

InChI

InChI=1S/C9H18N2O2/c1-9(13)11-7-4-6-10-5-2-3-8-12/h8,10H,2-7H2,1H3,(H,11,13)

InChIKey

VYYITLJUFOHZTF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.13683 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]+	187.14411	144.1
[M+Na]+	209.12605	148.6
[M-H]-	185.12955	143.8
[M+NH4]+	204.17065	163.2
[M+K]+	225.09999	147.7
[M+H-H2O]+	169.13409	137.9
[M+HCOO]-	231.13503	168.8
[M+CH3COO]-	245.15068	188.3
[M+Na-2H]-	207.11150	148.7
[M]+	186.13628	145.6
[M]-	186.13738	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe