CID 3073708

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

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C17H24N2O3/c1-2-11-21-15-6-4-3-5-14(15)18-17(20)22-16-12-19-9-7-13(16)8-10-19/h3-6,13,16H,2,7-12H2,1H3,(H,18,20)
InChIKey
XSLYYTUVZRFMFF-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 168.0
[M+Na]+ 327.16790 169.4
[M-H]- 303.17140 165.4
[M+NH4]+ 322.21250 185.3
[M+K]+ 343.14184 167.1
[M+H-H2O]+ 287.17594 160.2
[M+HCOO]- 349.17688 178.2
[M+CH3COO]- 363.19253 175.7
[M+Na-2H]- 325.15335 176.8
[M]+ 304.17813 170.3
[M]- 304.17923 170.3
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.