CID 12704408

Diethyl cyclopropylmalonate

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)C(C1CC1)C(=O)OCC

InChI

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

InChIKey

YWONUDUUMCJFPN-UHFFFAOYSA-N

Compound name

diethyl 2-cyclopropylpropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 200.10486 Da
Monoisotopic Mass: 2.0
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	145.2
[M+Na]+	223.09408	154.9
[M+NH4]+	218.13868	151.9
[M+K]+	239.06802	152.9
[M-H]-	199.09758	150.9
[M+Na-2H]-	221.07953	150.1
[M]+	200.10431	148.9
[M]-	200.10541	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe