CID 2817365

75844-68-7

Structural Information

Molecular Formula

C₈H₁₁NO₄

SMILES

CC(C)(C)OC(=O)N1C=COC1=O

InChI

InChI=1S/C8H11NO4/c1-8(2,3)13-7(11)9-4-5-12-6(9)10/h4-5H,1-3H3

InChIKey

SMFQUOISBHTCOR-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxo-1,3-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 185.0688 Da
Monoisotopic Mass: 1.1
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]+	186.07608	135.4
[M+Na]+	208.05802	145.0
[M-H]-	184.06152	139.2
[M+NH4]+	203.10262	154.9
[M+K]+	224.03196	146.2
[M+H-H2O]+	168.06606	130.3
[M+HCOO]-	230.06700	157.7
[M+CH3COO]-	244.08265	177.7
[M+Na-2H]-	206.04347	141.9
[M]+	185.06825	140.3
[M]-	185.06935	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe