CID 10931461

35501-83-8

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-9-6(8)5-2-4(5)3-7/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1

InChIKey

QMFFTUAKXYCOKM-CRCLSJGQSA-N

Compound name

methyl (1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 130.06299 Da
Monoisotopic Mass: -0.2
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]+	131.07027	126.3
[M+Na]+	153.05221	137.6
[M+NH4]+	148.09681	134.3
[M+K]+	169.02615	135.0
[M-H]-	129.05571	132.8
[M+Na-2H]-	151.03766	132.6
[M]+	130.06244	130.6
[M]-	130.06354	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe