CID 3073712

Carbamic acid, (2-(hexyloxy)phenyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, monohydrochloride

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C20H30N2O3/c1-2-3-4-7-14-24-18-9-6-5-8-17(18)21-20(23)25-19-15-22-12-10-16(19)11-13-22/h5-6,8-9,16,19H,2-4,7,10-15H2,1H3,(H,21,23)
InChIKey
IFQNIPQGVPLRDO-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 181.6
[M+Na]+ 369.214868 181.7
[M-H]- 345.218374 178.4
[M+NH4]+ 364.259473 197.1
[M+K]+ 385.188808 178.7
[M+H-H2O]+ 329.222910 173.2
[M+HCOO]- 391.223851 190.7
[M+CH3COO]- 405.239501 219.2
[M+Na-2H]- 367.200316 188.8
[M]+ 346.22510142 184.8
[M]- 346.22619858 184.8
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.