CID 15579850

83249-10-9

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

COC(=O)C12CC(C1)(C2)C(=O)O

InChI

InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)

InChIKey

UJZHYIMESNWEQA-UHFFFAOYSA-N

Compound name

3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 637
Patents: 170.0579 Da
Monoisotopic Mass: -0.1
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]+	171.06518	154.9
[M+Na]+	193.04712	150.7
[M+NH4]+	188.09172	153.4
[M+K]+	209.02106	149.6
[M-H]-	169.05062	146.1
[M+Na-2H]-	191.03257	149.6
[M]+	170.05735	149.0
[M]-	170.05845	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe