CID 64159402

858490-11-6

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

CC(C)(C)C1=C(C(=NO1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-14(2,3)12-10(13(16)17)11(15-18-12)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17)

InChIKey

LKAMSFDMBYTIHM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.1052 Da
Monoisotopic Mass: 3.3
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]+	246.112476	154.6
[M+Na]+	268.094418	163.0
[M-H]-	244.097924	160.1
[M+NH4]+	263.139023	170.7
[M+K]+	284.068358	161.3
[M+H-H2O]+	228.102460	148.2
[M+HCOO]-	290.103401	174.4
[M+CH3COO]-	304.119051	190.2
[M+Na-2H]-	266.079866	158.9
[M]+	245.10465142	157.0
[M]-	245.10574858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.