CID 14831157

Dimethyl cyclopentylmalonate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

COC(=O)C(C1CCCC1)C(=O)OC

InChI

InChI=1S/C10H16O4/c1-13-9(11)8(10(12)14-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3

InChIKey

KCCNEJJMJHDVCN-UHFFFAOYSA-N

Compound name

dimethyl 2-cyclopentylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 200.10486 Da
Monoisotopic Mass: 2.4
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]+	201.11214	145.9
[M+Na]+	223.09408	152.9
[M+NH4]+	218.13868	152.3
[M+K]+	239.06802	151.6
[M-H]-	199.09758	144.7
[M+Na-2H]-	221.07953	147.4
[M]+	200.10431	146.0
[M]-	200.10541	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe