CID 132398450

2166745-49-7

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CC1(CC(C1)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C11H18O4/c1-10(2,3)15-8(12)7-5-11(4,6-7)9(13)14/h7H,5-6H2,1-4H3,(H,13,14)

InChIKey

IFAGPUJTBGVORN-UHFFFAOYSA-N

Compound name

1-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.12051 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]+	215.127786	149.9
[M+Na]+	237.109728	154.8
[M-H]-	213.113234	152.2
[M+NH4]+	232.154333	163.4
[M+K]+	253.083668	157.8
[M+H-H2O]+	197.117770	141.6
[M+HCOO]-	259.118711	166.5
[M+CH3COO]-	273.134361	188.5
[M+Na-2H]-	235.095176	152.4
[M]+	214.11996142	159.9
[M]-	214.12105858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.