CID 89334

20417-61-2

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CCOC(=O)C1CC1C=O

InChI

InChI=1S/C7H10O3/c1-2-10-7(9)6-3-5(6)4-8/h4-6H,2-3H2,1H3

InChIKey

MDWXTLNIZCHBJE-UHFFFAOYSA-N

Compound name

ethyl 2-formylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 532
Patents: 142.06299 Da
Monoisotopic Mass: 0.1
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]+	143.070266	129.1
[M+Na]+	165.052208	139.1
[M-H]-	141.055714	134.2
[M+NH4]+	160.096813	146.1
[M+K]+	181.026148	137.6
[M+H-H2O]+	125.060250	123.6
[M+HCOO]-	187.061191	152.9
[M+CH3COO]-	201.076841	177.7
[M+Na-2H]-	163.037656	134.3
[M]+	142.06244142	134.5
[M]-	142.06353858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe