CID 15609072

Udnsvmrlhhbyok-uhfffaoysa-n

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCC1(COC(=O)C1O)C

InChI

InChI=1S/C7H12O3/c1-3-7(2)4-10-6(9)5(7)8/h5,8H,3-4H2,1-2H3

InChIKey

UDNSVMRLHHBYOK-UHFFFAOYSA-N

Compound name

4-ethyl-3-hydroxy-4-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.07864 Da
Monoisotopic Mass: 0.8
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]+	145.08592	128.3
[M+Na]+	167.06786	138.1
[M+NH4]+	162.11246	137.4
[M+K]+	183.04180	134.0
[M-H]-	143.07136	129.5
[M+Na-2H]-	165.05331	132.5
[M]+	144.07809	129.9
[M]-	144.07919	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.