CID 165944898

2703780-55-4

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CC12CCN(CC1)CC2C(=O)O

InChI

InChI=1S/C9H15NO2/c1-9-2-4-10(5-3-9)6-7(9)8(11)12/h7H,2-6H2,1H3,(H,11,12)

InChIKey

HRMAQRXOHPMOOF-UHFFFAOYSA-N

Compound name

4-methyl-1-azabicyclo[2.2.2]octane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.11028 Da
Monoisotopic Mass: -1.6
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]+	170.117556	138.4
[M+Na]+	192.099498	143.2
[M-H]-	168.103004	132.6
[M+NH4]+	187.144103	163.2
[M+K]+	208.073438	141.3
[M+H-H2O]+	152.107540	133.9
[M+HCOO]-	214.108481	147.2
[M+CH3COO]-	228.124131	148.6
[M+Na-2H]-	190.084946	149.1
[M]+	169.10973142	138.2
[M]-	169.11082858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.