CID 10606956

Ethyl 2-cyano-2-cyclopropylacetate

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CCOC(=O)C(C#N)C1CC1

InChI

InChI=1S/C8H11NO2/c1-2-11-8(10)7(5-9)6-3-4-6/h6-7H,2-4H2,1H3

InChIKey

FVJQEKBSGPOPLO-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 101
Patents: 153.07898 Da
Monoisotopic Mass: 1.5
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]+	154.086256	129.3
[M+Na]+	176.068198	143.5
[M-H]-	152.071704	135.6
[M+NH4]+	171.112803	145.8
[M+K]+	192.042138	139.2
[M+H-H2O]+	136.076240	120.0
[M+HCOO]-	198.077181	150.2
[M+CH3COO]-	212.092831	192.5
[M+Na-2H]-	174.053646	135.4
[M]+	153.07843142	130.0
[M]-	153.07952858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe