CID 86066

16783-11-2

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCOC(=O)C1CC1(C)C

InChI

InChI=1S/C8H14O2/c1-4-10-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3

InChIKey

OMQDMPAJKBUQSL-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 142.09938 Da
Monoisotopic Mass: 1.8
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]+	143.106656	130.7
[M+Na]+	165.088598	140.8
[M-H]-	141.092104	136.1
[M+NH4]+	160.133203	149.8
[M+K]+	181.062538	140.3
[M+H-H2O]+	125.096640	126.6
[M+HCOO]-	187.097581	153.5
[M+CH3COO]-	201.113231	179.1
[M+Na-2H]-	163.074046	136.7
[M]+	142.09883142	136.2
[M]-	142.09992858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe