CID 10057713

3325-77-7

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC(=O)C1(CC1C#N)C

InChI

InChI=1S/C8H11NO2/c1-3-11-7(10)8(2)4-6(8)5-9/h6H,3-4H2,1-2H3

InChIKey

KJONXUIDBVZZLB-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-1-methylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.07898 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]+	154.08626	131.5
[M+Na]+	176.06820	142.8
[M+NH4]+	171.11280	137.6
[M+K]+	192.04214	135.1
[M-H]-	152.07170	131.4
[M+Na-2H]-	174.05365	137.3
[M]+	153.07843	133.3
[M]-	153.07953	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.