CID 165982810

Rac-(1r,2r)-2-[(tert-butoxy)carbonyl]cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₈O₄

SMILES

CC(C)(C)OC(=O)[C@@H]1CCC[C@H]1C(=O)O

InChI

InChI=1S/C11H18O4/c1-11(2,3)15-10(14)8-6-4-5-7(8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8-/m1/s1

InChIKey

LIMUNFUOJCCPSR-HTQZYQBOSA-N

Compound name

trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.12051 Da
Monoisotopic Mass: 1.6
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]+	215.127786	149.0
[M+Na]+	237.109728	154.3
[M-H]-	213.113234	150.8
[M+NH4]+	232.154333	168.7
[M+K]+	253.083668	153.9
[M+H-H2O]+	197.117770	144.6
[M+HCOO]-	259.118711	166.9
[M+CH3COO]-	273.134361	183.8
[M+Na-2H]-	235.095176	149.5
[M]+	214.11996142	148.4
[M]-	214.12105858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.