CID 117877774

864531-02-2

Structural Information

Molecular Formula

C₁₀H₁₄O₆

SMILES

CC(C)(C)OC(=O)C1(CC(=O)OC(=O)C1)O

InChI

InChI=1S/C10H14O6/c1-9(2,3)16-8(13)10(14)4-6(11)15-7(12)5-10/h14H,4-5H2,1-3H3

InChIKey

ZDILKAFHOPYMAV-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-2,6-dioxooxane-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.07904 Da
Monoisotopic Mass: -0.4
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]+	231.08632	144.1
[M+Na]+	253.06826	151.3
[M-H]-	229.07176	147.2
[M+NH4]+	248.11286	162.3
[M+K]+	269.04220	152.7
[M+H-H2O]+	213.07630	140.5
[M+HCOO]-	275.07724	161.0
[M+CH3COO]-	289.09289	184.8
[M+Na-2H]-	251.05371	150.0
[M]+	230.07849	145.6
[M]-	230.07959	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe