CID 13761773

110371-27-2

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

COC(=O)C12CCCC(C1)(CC2)C(=O)O

InChI

InChI=1S/C11H16O4/c1-15-9(14)11-4-2-3-10(7-11,5-6-11)8(12)13/h2-7H2,1H3,(H,12,13)

InChIKey

WDMXFGRBVZYIIN-UHFFFAOYSA-N

Compound name

5-methoxycarbonylbicyclo[3.2.1]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 212.10486 Da
Monoisotopic Mass: 1.1
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]+	213.11214	148.9
[M+Na]+	235.09408	154.5
[M-H]-	211.09758	149.7
[M+NH4]+	230.13868	173.6
[M+K]+	251.06802	153.2
[M+H-H2O]+	195.10212	145.5
[M+HCOO]-	257.10306	164.8
[M+CH3COO]-	271.11871	181.7
[M+Na-2H]-	233.07953	153.4
[M]+	212.10431	147.1
[M]-	212.10541	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe