CID 34585

2,6-dimethylcarbanilic acid 3-quinuclidinyl ester

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C16H22N2O2/c1-11-4-3-5-12(2)15(11)17-16(19)20-14-10-18-8-6-13(14)7-9-18/h3-5,13-14H,6-10H2,1-2H3,(H,17,19)
InChIKey
AURWKKVRNIRWKR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 162.4
[M+Na]+ 297.15734 165.5
[M-H]- 273.16084 160.6
[M+NH4]+ 292.20194 181.4
[M+K]+ 313.13128 162.7
[M+H-H2O]+ 257.16538 155.2
[M+HCOO]- 319.16632 172.8
[M+CH3COO]- 333.18197 171.1
[M+Na-2H]- 295.14279 170.8
[M]+ 274.16757 163.4
[M]- 274.16867 163.4
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

No patent data available for this compound.