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]+ 347.23293 181.6
[M+Na]+ 369.21487 181.7
[M-H]- 345.21837 178.4
[M+NH4]+ 364.25947 197.1
[M+K]+ 385.18881 178.7
[M+H-H2O]+ 329.22291 173.2
[M+HCOO]- 391.22385 190.7
[M+CH3COO]- 405.23950 219.2
[M+Na-2H]- 367.20032 188.8
[M]+ 346.22510 184.8
[M]- 346.22620 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.