CID 11040705

Ethyl 2-cyclopropylideneacetate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

CCOC(=O)C=C1CC1

InChI

InChI=1S/C7H10O2/c1-2-9-7(8)5-6-3-4-6/h5H,2-4H2,1H3

InChIKey

CINXGNHRKLMYRK-UHFFFAOYSA-N

Compound name

ethyl 2-cyclopropylideneacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 256
Patents: 126.06808 Da
Monoisotopic Mass: 0.9
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]+	127.07536	127.1
[M+Na]+	149.05730	138.9
[M+NH4]+	144.10190	135.6
[M+K]+	165.03124	135.0
[M-H]-	125.06080	134.3
[M+Na-2H]-	147.04275	134.3
[M]+	126.06753	131.7
[M]-	126.06863	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe