CID 53418117

Methyl 4-formyloxane-4-carboxylate

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

COC(=O)C1(CCOCC1)C=O

InChI

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

InChIKey

UOBOBPXYVZPVJL-UHFFFAOYSA-N

Compound name

methyl 4-formyloxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 172.07356 Da
Monoisotopic Mass: -0.1
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]+	173.08084	136.1
[M+Na]+	195.06278	145.9
[M+NH4]+	190.10738	144.7
[M+K]+	211.03672	140.0
[M-H]-	171.06628	137.6
[M+Na-2H]-	193.04823	141.1
[M]+	172.07301	137.8
[M]-	172.07411	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe