CID 112495

62518-75-6

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CCCC1C(C(=O)C(=O)O1)C

InChI

InChI=1S/C8H12O3/c1-3-4-6-5(2)7(9)8(10)11-6/h5-6H,3-4H2,1-2H3

InChIKey

NZOSBDYMPOYFNG-UHFFFAOYSA-N

Compound name

4-methyl-5-propyloxolane-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.07864 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]+	157.08592	131.8
[M+Na]+	179.06786	142.2
[M+NH4]+	174.11246	139.3
[M+K]+	195.04180	139.4
[M-H]-	155.07136	133.3
[M+Na-2H]-	177.05331	134.3
[M]+	156.07809	133.4
[M]-	156.07919	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe