CID 3073718

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

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCCCCCCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C23H36N2O3/c1-2-3-4-5-6-7-10-17-27-21-12-9-8-11-20(21)24-23(26)28-22-18-25-15-13-19(22)14-16-25/h8-9,11-12,19,22H,2-7,10,13-18H2,1H3,(H,24,26)
InChIKey
NMFBJRGZLDXXGI-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-nonoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 193.4
[M+Na]+ 411.26180 201.6
[M+NH4]+ 406.30640 201.4
[M+K]+ 427.23574 193.1
[M-H]- 387.26530 192.8
[M+Na-2H]- 409.24725 190.9
[M]+ 388.27203 194.1
[M]- 388.27313 194.1
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.