CID 3073706

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

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C16H22N2O3/c1-2-20-14-6-4-3-5-13(14)17-16(19)21-15-11-18-9-7-12(15)8-10-18/h3-6,12,15H,2,7-11H2,1H3,(H,17,19)
InChIKey
WASJXSZLSDVMCD-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 163.4
[M+Na]+ 313.15228 165.3
[M-H]- 289.15578 161.1
[M+NH4]+ 308.19688 181.3
[M+K]+ 329.12622 163.2
[M+H-H2O]+ 273.16032 155.8
[M+HCOO]- 335.16126 174.0
[M+CH3COO]- 349.17691 171.5
[M+Na-2H]- 311.13773 172.7
[M]+ 290.16251 165.4
[M]- 290.16361 165.4
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

patents stripe