CID 129363693

35501-84-9

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

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

InChI

InChI=1S/C6H8O3/c1-9-6(8)5-2-4(5)3-7/h3-5H,2H2,1H3/t4-,5+/m0/s1

InChIKey

YPCWFMYMKSRCAZ-CRCLSJGQSA-N

Compound name

methyl (1R,2R)-2-formylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.04735 Da
Monoisotopic Mass: -0.3
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]+	129.05463	125.7
[M+Na]+	151.03657	137.5
[M+NH4]+	146.08117	133.8
[M+K]+	167.01051	134.6
[M-H]-	127.04007	132.5
[M+Na-2H]-	149.02202	132.4
[M]+	128.04680	130.1
[M]-	128.04790	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.