CID 82606121

1538091-62-1

Structural Information

Molecular Formula

C₁₀H₁₃NO₃

SMILES

CC1=NOC(=C1)C2(CCCC2)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-7-6-8(14-11-7)10(9(12)13)4-2-3-5-10/h6H,2-5H2,1H3,(H,12,13)

InChIKey

HEXDBMHXKNLQOA-UHFFFAOYSA-N

Compound name

1-(3-methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.08954 Da
Monoisotopic Mass: 1.7
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	140.8
[M+Na]+	218.078758	148.1
[M-H]-	194.082264	145.8
[M+NH4]+	213.123363	162.0
[M+K]+	234.052698	147.8
[M+H-H2O]+	178.086800	135.6
[M+HCOO]-	240.087741	161.3
[M+CH3COO]-	254.103391	177.8
[M+Na-2H]-	216.064206	143.8
[M]+	195.08899142	140.1
[M]-	195.09008858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.