CID 672920

63911-32-0

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC1=C(C=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3)O
InChI
InChI=1S/C15H19NO4/c1-19-14-6-9(2-5-13(14)17)15(18)20-12-7-10-3-4-11(8-12)16-10/h2,5-6,10-12,16-17H,3-4,7-8H2,1H3/t10-,11+,12?
InChIKey
GWWGRYGNRKFSSX-FOSCPWQOSA-N
Compound name
[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.0
[M+Na]+ 300.12062 168.2
[M-H]- 276.12412 164.5
[M+NH4]+ 295.16522 179.5
[M+K]+ 316.09456 164.7
[M+H-H2O]+ 260.12866 156.3
[M+HCOO]- 322.12960 177.2
[M+CH3COO]- 336.14525 194.1
[M+Na-2H]- 298.10607 164.1
[M]+ 277.13085 160.6
[M]- 277.13195 160.6
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.