CID 3053824

Brn 1465323

Structural Information

Molecular Formula
C17H31NO2
SMILES
CCCCCC(=O)O[C@@H]1C[C@@]2(CC[C@H]1C(N2C)(C)C)C
InChI
InChI=1S/C17H31NO2/c1-6-7-8-9-15(19)20-14-12-17(4)11-10-13(14)16(2,3)18(17)5/h13-14H,6-12H2,1-5H3/t13-,14-,17+/m1/s1
InChIKey
PZXGBHZTNMHMAJ-CPUCHLNUSA-N
Compound name
[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.24275 174.5
[M+Na]+ 304.22469 178.9
[M-H]- 280.22819 169.3
[M+NH4]+ 299.26929 197.9
[M+K]+ 320.19863 176.1
[M+H-H2O]+ 264.23273 168.8
[M+HCOO]- 326.23367 181.6
[M+CH3COO]- 340.24932 208.7
[M+Na-2H]- 302.21014 180.8
[M]+ 281.23492 179.4
[M]- 281.23602 179.4
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.