CID 101104635

2248301-38-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

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

InChI

InChI=1S/C11H19NO2/c1-12(2)11-6-3-10(4-7-11,5-8-11)9(13)14/h3-8H2,1-2H3,(H,13,14)

InChIKey

BZUQEBLDGGPFQE-UHFFFAOYSA-N

Compound name

4-(dimethylamino)bicyclo[2.2.2]octane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.14159 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]+	198.148866	147.1
[M+Na]+	220.130808	150.4
[M-H]-	196.134314	143.4
[M+NH4]+	215.175413	173.8
[M+K]+	236.104748	149.3
[M+H-H2O]+	180.138850	142.7
[M+HCOO]-	242.139791	157.6
[M+CH3COO]-	256.155441	191.6
[M+Na-2H]-	218.116256	157.8
[M]+	197.14104142	147.4
[M]-	197.14213858	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.