CID 11042062

18720-35-9

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

COC(=O)C12CCC(CC1)(CC2)C(=O)O

InChI

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

InChIKey

KBZVAQVEHVGIEI-UHFFFAOYSA-N

Compound name

4-methoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 635
Patents: 212.10486 Da
Monoisotopic Mass: 1.0
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]+	213.112136	149.7
[M+Na]+	235.094078	153.7
[M-H]-	211.097584	144.8
[M+NH4]+	230.138683	175.4
[M+K]+	251.068018	152.2
[M+H-H2O]+	195.102120	145.9
[M+HCOO]-	257.103061	158.3
[M+CH3COO]-	271.118711	187.0
[M+Na-2H]-	233.079526	160.0
[M]+	212.10431142	151.2
[M]-	212.10540858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe