CID 21120676

Ns00009409

Structural Information

Molecular Formula
C17H21NO4
SMILES
CCOC(=O)C1C2CCC(N2)CC1OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21NO4/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3
InChIKey
MABVIZVTLRQVOB-UHFFFAOYSA-N
Compound name
ethyl 3-benzoyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.154336 171.2
[M+Na]+ 326.136278 175.0
[M-H]- 302.139784 173.5
[M+NH4]+ 321.180883 187.0
[M+K]+ 342.110218 171.9
[M+H-H2O]+ 286.144320 163.9
[M+HCOO]- 348.145261 185.4
[M+CH3COO]- 362.160911 200.6
[M+Na-2H]- 324.121726 171.2
[M]+ 303.14651142 169.5
[M]- 303.14760858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.