CID 286134

14132-45-7

Structural Information

Molecular Formula

C₉H₁₁NO₄

SMILES

COC(=O)C1CCC1(C#N)C(=O)OC

InChI

InChI=1S/C9H11NO4/c1-13-7(11)6-3-4-9(6,5-10)8(12)14-2/h6H,3-4H2,1-2H3

InChIKey

GUYYKGJNXQNTDR-UHFFFAOYSA-N

Compound name

dimethyl 1-cyanocyclobutane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 197.0688 Da
Monoisotopic Mass: 0.2
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]+	198.07608	143.7
[M+Na]+	220.05802	148.4
[M+NH4]+	215.10262	144.3
[M+K]+	236.03196	142.2
[M-H]-	196.06152	133.5
[M+Na-2H]-	218.04347	143.1
[M]+	197.06825	139.5
[M]-	197.06935	139.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.