CID 380810

Ethyl 1-cyanocyclopropanecarboxylate

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1(CC1)C#N

InChI

InChI=1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3

InChIKey

FDZLCIITHLSEQK-UHFFFAOYSA-N

Compound name

ethyl 1-cyanocyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 480
Patents: 139.06332 Da
Monoisotopic Mass: 0.7
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]+	140.07060	126.4
[M+Na]+	162.05254	142.0
[M-H]-	138.05604	133.3
[M+NH4]+	157.09714	145.2
[M+K]+	178.02648	137.9
[M+H-H2O]+	122.06058	118.4
[M+HCOO]-	184.06152	148.0
[M+CH3COO]-	198.07717	188.8
[M+Na-2H]-	160.03799	134.9
[M]+	139.06277	127.8
[M]-	139.06387	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe