CID 129640

69267-68-1

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CN3CCC2CC3
InChI
InChI=1S/C16H22N2O/c1-11-4-3-5-12(2)15(11)17-16(19)14-10-18-8-6-13(14)7-9-18/h3-5,13-14H,6-10H2,1-2H3,(H,17,19)
InChIKey
HCIRLKXASKPUHN-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

6
Patents

258.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 159.7
[M+Na]+ 281.16244 162.8
[M-H]- 257.16594 157.8
[M+NH4]+ 276.20704 179.3
[M+K]+ 297.13638 159.3
[M+H-H2O]+ 241.17048 152.6
[M+HCOO]- 303.17142 169.9
[M+CH3COO]- 317.18707 168.4
[M+Na-2H]- 279.14789 167.8
[M]+ 258.17267 159.2
[M]- 258.17377 159.2
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.