CID 274392

72229-07-3

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CCOC(=O)C1CC1OC(=O)C

InChI

InChI=1S/C8H12O4/c1-3-11-8(10)6-4-7(6)12-5(2)9/h6-7H,3-4H2,1-2H3

InChIKey

UWYCEOHZDOYNHX-UHFFFAOYSA-N

Compound name

ethyl 2-acetyloxycyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.07356 Da
Monoisotopic Mass: 0.5
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]+	173.080836	136.4
[M+Na]+	195.062778	145.8
[M-H]-	171.066284	141.3
[M+NH4]+	190.107383	152.2
[M+K]+	211.036718	144.8
[M+H-H2O]+	155.070820	130.8
[M+HCOO]-	217.071761	159.1
[M+CH3COO]-	231.087411	182.7
[M+Na-2H]-	193.048226	139.9
[M]+	172.07301142	142.9
[M]-	172.07410858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe