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 138.4
[M+Na]+ 192.09950 143.2
[M-H]- 168.10300 132.6
[M+NH4]+ 187.14410 163.2
[M+K]+ 208.07344 141.3
[M+H-H2O]+ 152.10754 133.9
[M+HCOO]- 214.10848 147.2
[M+CH3COO]- 228.12413 148.6
[M+Na-2H]- 190.08495 149.1
[M]+ 169.10973 138.2
[M]- 169.11083 138.2
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.