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: 105
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]+	131.070266	123.2
[M+Na]+	153.052208	128.1
[M-H]-	129.055714	125.3
[M+NH4]+	148.096813	137.7
[M+K]+	169.026148	131.3
[M+H-H2O]+	113.060250	113.3
[M+HCOO]-	175.061191	143.7
[M+CH3COO]-	189.076841	172.1
[M+Na-2H]-	151.037656	128.3
[M]+	130.06244142	131.3
[M]-	130.06353858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe