CID 287568

1,1-cyclobutanedicarboxamide

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CC(C1)(C(=O)N)C(=O)N

InChI

InChI=1S/C6H10N2O2/c7-4(9)6(5(8)10)2-1-3-6/h1-3H2,(H2,7,9)(H2,8,10)

InChIKey

VEQSYQFANVTOGA-UHFFFAOYSA-N

Compound name

cyclobutane-1,1-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 173
Patents: 142.07423 Da
Monoisotopic Mass: -0.9
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]+	143.081506	134.6
[M+Na]+	165.063448	138.6
[M-H]-	141.066954	137.1
[M+NH4]+	160.108053	149.7
[M+K]+	181.037388	141.6
[M+H-H2O]+	125.071490	124.3
[M+HCOO]-	187.072431	155.7
[M+CH3COO]-	201.088081	180.6
[M+Na-2H]-	163.048896	137.5
[M]+	142.07368142	138.2
[M]-	142.07477858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe