CID 275343

Ethyl 1-cyanocyclobutanecarboxylate

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC(=O)C1(CCC1)C#N

InChI

InChI=1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3

InChIKey

VPAQDMAYKQBDLT-UHFFFAOYSA-N

Compound name

ethyl 1-cyanocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 153.07898 Da
Monoisotopic Mass: 1.3
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]+	154.08626	134.2
[M+Na]+	176.06820	139.8
[M+NH4]+	171.11280	136.3
[M+K]+	192.04214	132.3
[M-H]-	152.07170	125.4
[M+Na-2H]-	174.05365	135.3
[M]+	153.07843	130.6
[M]-	153.07953	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe