CID 21116688

Ns00051047

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(=O)[C@@H]1[C@](O1)(C)CC(C)C

InChI

InChI=1S/C10H18O3/c1-5-12-9(11)8-10(4,13-8)6-7(2)3/h7-8H,5-6H2,1-4H3/t8-,10+/m1/s1

InChIKey

PUIUZWMTQGBAIE-SCZZXKLOSA-N

Compound name

ethyl (2S,3S)-3-methyl-3-(2-methylpropyl)oxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 2.1
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]+	187.132876	142.0
[M+Na]+	209.114818	151.1
[M-H]-	185.118324	147.7
[M+NH4]+	204.159423	158.2
[M+K]+	225.088758	152.0
[M+H-H2O]+	169.122860	137.4
[M+HCOO]-	231.123801	162.5
[M+CH3COO]-	245.139451	187.5
[M+Na-2H]-	207.100266	146.9
[M]+	186.12505142	149.8
[M]-	186.12614858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.