CID 15730339

1134802-45-1

Structural Information

Molecular Formula

C₁₀H₁₆O₅

SMILES

COC(=O)C(CC1CCCO1)C(=O)OC

InChI

InChI=1S/C10H16O5/c1-13-9(11)8(10(12)14-2)6-7-4-3-5-15-7/h7-8H,3-6H2,1-2H3

InChIKey

MBBDIQIYKVHJEO-UHFFFAOYSA-N

Compound name

dimethyl 2-(oxolan-2-ylmethyl)propanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 216.09978 Da
Monoisotopic Mass: 0.9
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]+	217.107056	148.6
[M+Na]+	239.088998	153.2
[M-H]-	215.092504	152.0
[M+NH4]+	234.133603	167.1
[M+K]+	255.062938	155.3
[M+H-H2O]+	199.097040	143.1
[M+HCOO]-	261.097981	168.2
[M+CH3COO]-	275.113631	184.9
[M+Na-2H]-	237.074446	149.6
[M]+	216.09923142	151.1
[M]-	216.10032858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe