CID 34583

2-chloro-6-methylcarbanilic acid 3-quinuclidinyl ester hydrochloride

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C15H19ClN2O2/c1-10-3-2-4-12(16)14(10)17-15(19)20-13-9-18-7-5-11(13)6-8-18/h2-4,11,13H,5-9H2,1H3,(H,17,19)
InChIKey
HKHYIJSQHODDIP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 164.4
[M+Na]+ 317.102718 168.8
[M-H]- 293.106224 162.6
[M+NH4]+ 312.147323 183.5
[M+K]+ 333.076658 164.8
[M+H-H2O]+ 277.110760 158.3
[M+HCOO]- 339.111701 170.8
[M+CH3COO]- 353.127351 173.1
[M+Na-2H]- 315.088166 172.8
[M]+ 294.11295142 167.3
[M]- 294.11404858 167.3
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.