CID 64157623

3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1=C(C(=NO1)C2CCCC2)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-6-8(10(12)13)9(11-14-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)

InChIKey

SAUQFOSCXZJZTK-UHFFFAOYSA-N

Compound name

3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 2.0
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]+	196.096816	141.6
[M+Na]+	218.078758	148.9
[M-H]-	194.082264	146.6
[M+NH4]+	213.123363	161.1
[M+K]+	234.052698	148.4
[M+H-H2O]+	178.086800	135.9
[M+HCOO]-	240.087741	162.0
[M+CH3COO]-	254.103391	179.5
[M+Na-2H]-	216.064206	142.7
[M]+	195.08899142	141.0
[M]-	195.09008858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.