CID 10630992

Ethyl 2,2-dimethylcyclopentane-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCOC(=O)C1CCCC1(C)C

InChI

InChI=1S/C10H18O2/c1-4-12-9(11)8-6-5-7-10(8,2)3/h8H,4-7H2,1-3H3

InChIKey

KKMZHJDUWJPCKX-UHFFFAOYSA-N

Compound name

ethyl 2,2-dimethylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 2.9
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]+	171.137956	138.8
[M+Na]+	193.119898	145.6
[M-H]-	169.123404	142.2
[M+NH4]+	188.164503	163.2
[M+K]+	209.093838	145.1
[M+H-H2O]+	153.127940	134.7
[M+HCOO]-	215.128881	160.5
[M+CH3COO]-	229.144531	179.2
[M+Na-2H]-	191.105346	141.6
[M]+	170.13013142	139.0
[M]-	170.13122858	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.