CID 139621467

1824529-29-4

Structural Information

Molecular Formula

C₈H₁₀O₆

SMILES

COC(=O)C1C(C1C(=O)OC)C(=O)O

InChI

InChI=1S/C8H10O6/c1-13-7(11)4-3(6(9)10)5(4)8(12)14-2/h3-5H,1-2H3,(H,9,10)

InChIKey

GOAVZTRCNJRXJD-UHFFFAOYSA-N

Compound name

2,3-bis(methoxycarbonyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.04774 Da
Monoisotopic Mass: -0.8
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]+	203.05502	142.2
[M+Na]+	225.03696	151.6
[M+NH4]+	220.08156	147.5
[M+K]+	241.01090	151.6
[M-H]-	201.04046	146.4
[M+Na-2H]-	223.02241	145.6
[M]+	202.04719	145.3
[M]-	202.04829	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe