CID 567310

Einecs 256-668-0

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

COC1CC(C(O1)OC)C=O

InChI

InChI=1S/C7H12O4/c1-9-6-3-5(4-8)7(10-2)11-6/h4-7H,3H2,1-2H3

InChIKey

QMIGEDXMDGEZSR-UHFFFAOYSA-N

Compound name

2,5-dimethoxyoxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 160.07356 Da
Monoisotopic Mass: -0.3
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]+	161.08084	129.9
[M+Na]+	183.06278	138.0
[M-H]-	159.06628	134.2
[M+NH4]+	178.10738	151.5
[M+K]+	199.03672	139.5
[M+H-H2O]+	143.07082	125.3
[M+HCOO]-	205.07176	153.0
[M+CH3COO]-	219.08741	175.6
[M+Na-2H]-	181.04823	134.9
[M]+	160.07301	133.4
[M]-	160.07411	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe