CID 281854

31536-34-2

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CC1(OCCO1)C2CCOC2=O

InChI

InChI=1S/C8H12O4/c1-8(11-4-5-12-8)6-2-3-10-7(6)9/h6H,2-5H2,1H3

InChIKey

NKWSNJKDBPIKDZ-UHFFFAOYSA-N

Compound name

3-(2-methyl-1,3-dioxolan-2-yl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 172.07356 Da
Monoisotopic Mass: 0.0
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]+	173.080836	132.3
[M+Na]+	195.062778	139.3
[M-H]-	171.066284	140.6
[M+NH4]+	190.107383	153.7
[M+K]+	211.036718	142.3
[M+H-H2O]+	155.070820	129.3
[M+HCOO]-	217.071761	152.5
[M+CH3COO]-	231.087411	174.4
[M+Na-2H]-	193.048226	138.3
[M]+	172.07301142	132.7
[M]-	172.07410858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe