CID 3073710

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

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C19H28N2O3/c1-2-3-6-13-23-17-8-5-4-7-16(17)20-19(22)24-18-14-21-11-9-15(18)10-12-21/h4-5,7-8,15,18H,2-3,6,9-14H2,1H3,(H,20,22)
InChIKey
RDBNMIZJKMKEMV-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.21728 177.1
[M+Na]+ 355.19922 177.6
[M-H]- 331.20272 174.1
[M+NH4]+ 350.24382 193.2
[M+K]+ 371.17316 174.8
[M+H-H2O]+ 315.20726 168.9
[M+HCOO]- 377.20820 186.6
[M+CH3COO]- 391.22385 216.4
[M+Na-2H]- 353.18467 184.8
[M]+ 332.20945 180.0
[M]- 332.21055 180.0
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.