CID 16227074

877825-68-8

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CC(C)C1(CC(=O)OC1=O)C

InChI

InChI=1S/C8H12O3/c1-5(2)8(3)4-6(9)11-7(8)10/h5H,4H2,1-3H3

InChIKey

CRWBPFAFNCRLIS-UHFFFAOYSA-N

Compound name

3-methyl-3-propan-2-yloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 156.07864 Da
Monoisotopic Mass: 1.3
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	128.5
[M+Na]+	179.06786	137.3
[M-H]-	155.07136	133.2
[M+NH4]+	174.11246	152.3
[M+K]+	195.04180	138.1
[M+H-H2O]+	139.07590	125.3
[M+HCOO]-	201.07684	150.3
[M+CH3COO]-	215.09249	176.1
[M+Na-2H]-	177.05331	133.1
[M]+	156.07809	129.9
[M]-	156.07919	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe