CID 29230

Db-243724

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 166.6
[M+Na]+ 312.12062 170.9
[M-H]- 288.12412 169.1
[M+NH4]+ 307.16522 183.0
[M+K]+ 328.09456 168.0
[M+H-H2O]+ 272.12866 159.5
[M+HCOO]- 334.12960 181.2
[M+CH3COO]- 348.14525 197.7
[M+Na-2H]- 310.10607 167.1
[M]+ 289.13085 164.5
[M]- 289.13195 164.5
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

No patent data available for this compound.