CID 29230

2-methyl 3-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate

Structural Information

Molecular Formula
C16H19NO4
SMILES
COC(=O)C1C2CCC(N2)CC1C(=O)OC3=CC=CC=C3
InChI
InChI=1S/C16H19NO4/c1-20-16(19)14-12(9-10-7-8-13(14)17-10)15(18)21-11-5-3-2-4-6-11/h2-6,10,12-14,17H,7-9H2,1H3
InChIKey
RERBBBLSJAMJFJ-UHFFFAOYSA-N
Compound name
2-O-methyl 3-O-phenyl 8-azabicyclo[3.2.1]octane-2,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 166.7
[M+Na]+ 312.12062 175.8
[M+NH4]+ 307.16522 173.6
[M+K]+ 328.09456 172.6
[M-H]- 288.12412 167.1
[M+Na-2H]- 310.10607 168.5
[M]+ 289.13085 167.6
[M]- 289.13195 167.6
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.