CID 84653349

1783326-15-7

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CC(C)(C)C1=CON=C1C(=O)O

InChI

InChI=1S/C8H11NO3/c1-8(2,3)5-4-12-9-6(5)7(10)11/h4H,1-3H3,(H,10,11)

InChIKey

FFDTXTUPVZAUAU-UHFFFAOYSA-N

Compound name

4-tert-butyl-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.0739 Da
Monoisotopic Mass: 1.9
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]+	170.08118	134.7
[M+Na]+	192.06312	144.7
[M+NH4]+	187.10772	141.1
[M+K]+	208.03706	143.9
[M-H]-	168.06662	134.5
[M+Na-2H]-	190.04857	138.1
[M]+	169.07335	135.8
[M]-	169.07445	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.