CID 3616

3073-59-4

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₂

SMILES

CC(=O)NCCCCCCNC(=O)C

InChI

InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)

InChIKey

BNQSTAOJRULKNX-UHFFFAOYSA-N

Compound name

N-(6-acetamidohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 613
References: 14960
Patents: 200.15248 Da
Monoisotopic Mass: 0.3
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]+	201.15976	149.9
[M+Na]+	223.14170	153.9
[M-H]-	199.14520	149.5
[M+NH4]+	218.18630	168.4
[M+K]+	239.11564	153.2
[M+H-H2O]+	183.14974	143.6
[M+HCOO]-	245.15068	173.2
[M+CH3COO]-	259.16633	191.5
[M+Na-2H]-	221.12715	152.6
[M]+	200.15193	151.0
[M]-	200.15303	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe