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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.0
[M+Na]+ 192.09950 145.1
[M+NH4]+ 187.14410 147.2
[M+K]+ 208.07344 137.5
[M-H]- 168.10300 132.8
[M+Na-2H]- 190.08495 134.6
[M]+ 169.10973 136.3
[M]- 169.11083 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.