CID 86775226

1803594-07-1

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)(C)OC1CC(C1)CC(=O)O

InChI

InChI=1S/C10H18O3/c1-10(2,3)13-8-4-7(5-8)6-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)

InChIKey

KKAYYILOIWIYOE-UHFFFAOYSA-N

Compound name

2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.1256 Da
Monoisotopic Mass: 1.4
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]+	187.13288	142.3
[M+Na]+	209.11482	146.9
[M-H]-	185.11832	144.4
[M+NH4]+	204.15942	155.2
[M+K]+	225.08876	149.5
[M+H-H2O]+	169.12286	132.7
[M+HCOO]-	231.12380	159.9
[M+CH3COO]-	245.13945	184.7
[M+Na-2H]-	207.10027	145.3
[M]+	186.12505	151.6
[M]-	186.12615	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe