CID 67078268

Ethyl 2-(oxan-4-yl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(=O)C(C)C1CCOCC1

InChI

InChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3

InChIKey

BZQJYCUZVIJNJJ-UHFFFAOYSA-N

Compound name

ethyl 2-(oxan-4-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 186.1256 Da
Monoisotopic Mass: 1.6
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	143.1
[M+Na]+	209.114818	146.8
[M-H]-	185.118324	146.2
[M+NH4]+	204.159423	161.1
[M+K]+	225.088758	148.1
[M+H-H2O]+	169.122860	137.2
[M+HCOO]-	231.123801	160.9
[M+CH3COO]-	245.139451	181.7
[M+Na-2H]-	207.100266	146.3
[M]+	186.12505142	141.9
[M]-	186.12614858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe