CID 549184

3-tert-butylfuran-2,5-dione

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CC(C)(C)C1=CC(=O)OC1=O

InChI

InChI=1S/C8H10O3/c1-8(2,3)5-4-6(9)11-7(5)10/h4H,1-3H3

InChIKey

WLUSGOBAJPTJAP-UHFFFAOYSA-N

Compound name

3-tert-butylfuran-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 154.06299 Da
Monoisotopic Mass: 1.6
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]+	155.070266	127.8
[M+Na]+	177.052208	137.5
[M-H]-	153.055714	132.9
[M+NH4]+	172.096813	150.0
[M+K]+	193.026148	137.9
[M+H-H2O]+	137.060250	124.2
[M+HCOO]-	199.061191	150.6
[M+CH3COO]-	213.076841	174.9
[M+Na-2H]-	175.037656	134.2
[M]+	154.06244142	130.4
[M]-	154.06353858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe