CID 59779883

(oxolan-2-yl)methyl 2-methylbutanoate

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCC(C)C(=O)OCC1CCCO1

InChI

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

InChIKey

IVFCTOQBFINRSN-UHFFFAOYSA-N

Compound name

oxolan-2-ylmethyl 2-methylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 186.1256 Da
Monoisotopic Mass: 1.9
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]+	187.13288	143.4
[M+Na]+	209.11482	151.6
[M+NH4]+	204.15942	150.7
[M+K]+	225.08876	149.3
[M-H]-	185.11832	144.6
[M+Na-2H]-	207.10027	145.4
[M]+	186.12505	144.5
[M]-	186.12615	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe