CID 10398206

Abt-769

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

C1CCC2(CC1)CC2C(=O)NCC(=O)N

InChI

InChI=1S/C11H18N2O2/c12-9(14)7-13-10(15)8-6-11(8)4-2-1-3-5-11/h8H,1-7H2,(H2,12,14)(H,13,15)

InChIKey

DMJYXJWPUBEAHR-UHFFFAOYSA-N

Compound name

N-(2-amino-2-oxoethyl)spiro[2.5]octane-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 210.13683 Da
Monoisotopic Mass: 1.2
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]+	211.14411	146.2
[M+Na]+	233.12605	151.6
[M-H]-	209.12955	151.4
[M+NH4]+	228.17065	161.1
[M+K]+	249.09999	149.5
[M+H-H2O]+	193.13409	140.8
[M+HCOO]-	255.13503	166.0
[M+CH3COO]-	269.15068	192.4
[M+Na-2H]-	231.11150	150.0
[M]+	210.13628	143.0
[M]-	210.13738	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe