CID 3073704

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

Structural Information

Molecular Formula
C15H20N2O3
SMILES
COC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C15H20N2O3/c1-19-13-5-3-2-4-12(13)16-15(18)20-14-10-17-8-6-11(14)7-9-17/h2-5,11,14H,6-10H2,1H3,(H,16,18)
InChIKey
RWLJBCGSPIALSQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 158.7
[M+Na]+ 299.136618 161.2
[M-H]- 275.140124 156.7
[M+NH4]+ 294.181223 177.2
[M+K]+ 315.110558 159.2
[M+H-H2O]+ 259.144660 151.4
[M+HCOO]- 321.145601 169.7
[M+CH3COO]- 335.161251 167.4
[M+Na-2H]- 297.122066 168.7
[M]+ 276.14685142 160.5
[M]- 276.14794858 160.5
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