CID 566079

Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CCOC(=O)C1C(C1(C)C)C=O

InChI

InChI=1S/C9H14O3/c1-4-12-8(11)7-6(5-10)9(7,2)3/h5-7H,4H2,1-3H3

InChIKey

ZFZXRNVTYVRULM-UHFFFAOYSA-N

Compound name

ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 170.0943 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]+	171.10158	136.1
[M+Na]+	193.08352	146.9
[M-H]-	169.08702	141.6
[M+NH4]+	188.12812	154.3
[M+K]+	209.05746	145.8
[M+H-H2O]+	153.09156	132.1
[M+HCOO]-	215.09250	158.9
[M+CH3COO]-	229.10815	184.1
[M+Na-2H]-	191.06897	141.0
[M]+	170.09375	143.1
[M]-	170.09485	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe