CID 18952950

3-(tert-butoxy)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(C)(C)OC1CCC(C1)C(=O)O

InChI

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

InChIKey

ZHWTVKGMNWDRGZ-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 186.1256 Da
Monoisotopic Mass: 1.5
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]+	187.132876	143.1
[M+Na]+	209.114818	148.9
[M-H]-	185.118324	145.0
[M+NH4]+	204.159423	164.1
[M+K]+	225.088758	148.3
[M+H-H2O]+	169.122860	138.8
[M+HCOO]-	231.123801	161.9
[M+CH3COO]-	245.139451	179.3
[M+Na-2H]-	207.100266	145.1
[M]+	186.12505142	142.1
[M]-	186.12614858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe