CID 10975600

31420-47-0

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

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

InChI

InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4+/m0/s1

InChIKey

IRRAJLZEAOBJIV-IUYQGCFVSA-N

Compound name

(1S,2R)-2-methoxycarbonylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 302
Patents: 144.04225 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]+	145.04953	129.4
[M+Na]+	167.03147	140.0
[M+NH4]+	162.07607	136.5
[M+K]+	183.00541	138.5
[M-H]-	143.03497	135.0
[M+Na-2H]-	165.01692	134.8
[M]+	144.04170	133.2
[M]-	144.04280	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe