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]+ 275.175396 162.4
[M+Na]+ 297.157338 165.5
[M-H]- 273.160844 160.6
[M+NH4]+ 292.201943 181.4
[M+K]+ 313.131278 162.7
[M+H-H2O]+ 257.165380 155.2
[M+HCOO]- 319.166321 172.8
[M+CH3COO]- 333.181971 171.1
[M+Na-2H]- 295.142786 170.8
[M]+ 274.16757142 163.4
[M]- 274.16866858 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.