CID 95541

63867-16-3

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

CCCC(=O)OCCCC1CCCO1

InChI

InChI=1S/C11H20O3/c1-2-5-11(12)14-9-4-7-10-6-3-8-13-10/h10H,2-9H2,1H3

InChIKey

BAEVROZWRARQSZ-UHFFFAOYSA-N

Compound name

3-(oxolan-2-yl)propyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.14125 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]+	201.148526	148.6
[M+Na]+	223.130468	153.1
[M-H]-	199.133974	151.6
[M+NH4]+	218.175073	168.0
[M+K]+	239.104408	153.5
[M+H-H2O]+	183.138510	142.9
[M+HCOO]-	245.139451	169.2
[M+CH3COO]-	259.155101	183.5
[M+Na-2H]-	221.115916	151.2
[M]+	200.14070142	150.6
[M]-	200.14179858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.