CID 12660760

3-(dimethyl-1,3-oxazol-2-yl)propanoic acid

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

CC1=C(OC(=N1)CCC(=O)O)C

InChI

InChI=1S/C8H11NO3/c1-5-6(2)12-7(9-5)3-4-8(10)11/h3-4H2,1-2H3,(H,10,11)

InChIKey

PBXLBXUVCNXYHX-UHFFFAOYSA-N

Compound name

3-(4,5-dimethyl-1,3-oxazol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.0739 Da
Monoisotopic Mass: 0.9
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	134.9
[M+Na]+	192.06312	145.7
[M+NH4]+	187.10772	141.6
[M+K]+	208.03706	143.7
[M-H]-	168.06662	135.4
[M+Na-2H]-	190.04857	138.1
[M]+	169.07335	136.3
[M]-	169.07445	136.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.