CID 22114253

2-cyclobutoxyacetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1CC(C1)OCC(=O)O

InChI

InChI=1S/C6H10O3/c7-6(8)4-9-5-2-1-3-5/h5H,1-4H2,(H,7,8)

InChIKey

KEOSJDSSBULZBQ-UHFFFAOYSA-N

Compound name

2-cyclobutyloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 130.06299 Da
Monoisotopic Mass: 0.6
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]+	131.07027	123.2
[M+Na]+	153.05221	128.1
[M-H]-	129.05571	125.3
[M+NH4]+	148.09681	137.7
[M+K]+	169.02615	131.3
[M+H-H2O]+	113.06025	113.3
[M+HCOO]-	175.06119	143.7
[M+CH3COO]-	189.07684	172.1
[M+Na-2H]-	151.03766	128.3
[M]+	130.06244	131.3
[M]-	130.06354	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe