CID 34584

O-methylcarbanilic acid 3-quinuclidinyl ester

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C15H20N2O2/c1-11-4-2-3-5-13(11)16-15(18)19-14-10-17-8-6-12(14)7-9-17/h2-5,12,14H,6-10H2,1H3,(H,16,18)
InChIKey
JZGDWROMWFPLTM-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 156.5
[M+Na]+ 283.14169 159.1
[M-H]- 259.14519 154.5
[M+NH4]+ 278.18629 175.7
[M+K]+ 299.11563 156.5
[M+H-H2O]+ 243.14973 149.2
[M+HCOO]- 305.15067 167.3
[M+CH3COO]- 319.16632 165.3
[M+Na-2H]- 281.12714 166.1
[M]+ 260.15192 156.8
[M]- 260.15302 156.8
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