CID 43134844

3-methyl-3-(2-methylpropyl)oxolane-2,5-dione

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC(C)CC1(CC(=O)OC1=O)C

InChI

InChI=1S/C9H14O3/c1-6(2)4-9(3)5-7(10)12-8(9)11/h6H,4-5H2,1-3H3

InChIKey

STCQBUQMHAHLHG-UHFFFAOYSA-N

Compound name

3-methyl-3-(2-methylpropyl)oxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 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]+	171.101576	133.2
[M+Na]+	193.083518	141.6
[M-H]-	169.087024	137.8
[M+NH4]+	188.128123	156.4
[M+K]+	209.057458	142.1
[M+H-H2O]+	153.091560	129.8
[M+HCOO]-	215.092501	154.7
[M+CH3COO]-	229.108151	179.1
[M+Na-2H]-	191.068966	137.3
[M]+	170.09375142	135.0
[M]-	170.09484858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.