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]+ 277.15468 158.7
[M+Na]+ 299.13662 161.2
[M-H]- 275.14012 156.7
[M+NH4]+ 294.18122 177.2
[M+K]+ 315.11056 159.2
[M+H-H2O]+ 259.14466 151.4
[M+HCOO]- 321.14560 169.7
[M+CH3COO]- 335.16125 167.4
[M+Na-2H]- 297.12207 168.7
[M]+ 276.14685 160.5
[M]- 276.14795 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