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]+ 291.170336 163.4
[M+Na]+ 313.152278 165.3
[M-H]- 289.155784 161.1
[M+NH4]+ 308.196883 181.3
[M+K]+ 329.126218 163.2
[M+H-H2O]+ 273.160320 155.8
[M+HCOO]- 335.161261 174.0
[M+CH3COO]- 349.176911 171.5
[M+Na-2H]- 311.137726 172.7
[M]+ 290.16251142 165.4
[M]- 290.16360858 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