CID 2769539

6914-71-2

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

COC(=O)C1(CC1)C(=O)OC

InChI

InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3

InChIKey

PWLLZZMFFZUSOG-UHFFFAOYSA-N

Compound name

dimethyl cyclopropane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 345
Patents: 158.0579 Da
Monoisotopic Mass: 0.5
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]+	159.06518	135.9
[M+Na]+	181.04712	146.7
[M+NH4]+	176.09172	144.6
[M+K]+	197.02106	142.9
[M-H]-	157.05062	142.1
[M+Na-2H]-	179.03257	143.3
[M]+	158.05735	140.2
[M]-	158.05845	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe