CID 642979

826-34-6

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

COC(=O)[C@@H]1C[C@@H]1C(=O)OC

InChI

InChI=1S/C7H10O4/c1-10-6(8)4-3-5(4)7(9)11-2/h4-5H,3H2,1-2H3/t4-,5+

InChIKey

JBVOSZYUSFDYIN-SYDPRGILSA-N

Compound name

dimethyl (1S,2R)-cyclopropane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 707
Patents: 158.0579 Da
Monoisotopic Mass: 0.1
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	133.1
[M+Na]+	181.04712	144.1
[M+NH4]+	176.09172	140.4
[M+K]+	197.02106	142.1
[M-H]-	157.05062	139.2
[M+Na-2H]-	179.03257	138.9
[M]+	158.05735	137.2
[M]-	158.05845	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe