CID 242320

84545-00-6

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

COC(=O)C1CCC(C1)C(=O)O

InChI

InChI=1S/C8H12O4/c1-12-8(11)6-3-2-5(4-6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)

InChIKey

FVUHGTQDOMGZOT-UHFFFAOYSA-N

Compound name

3-methoxycarbonylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 263
Patents: 172.07356 Da
Monoisotopic Mass: 0.5
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]+	173.08084	137.1
[M+Na]+	195.06278	144.6
[M+NH4]+	190.10738	143.5
[M+K]+	211.03672	143.5
[M-H]-	171.06628	135.7
[M+Na-2H]-	193.04823	138.6
[M]+	172.07301	137.2
[M]-	172.07411	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe