CID 25058418

Ip-2018

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1C[C@H]2CC(C[C@@H]1N2)OC3=CC4=C(C=C3)C=CC(=O)O4
InChI
InChI=1S/C16H17NO3/c18-16-6-2-10-1-5-13(9-15(10)20-16)19-14-7-11-3-4-12(8-14)17-11/h1-2,5-6,9,11-12,14,17H,3-4,7-8H2/t11-,12+,14?
InChIKey
PGUDASZQLOAZRX-ONXXMXGDSA-N
Compound name
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

271.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 157.9
[M+Na]+ 294.11007 165.1
[M-H]- 270.11357 162.6
[M+NH4]+ 289.15467 175.1
[M+K]+ 310.08401 161.2
[M+H-H2O]+ 254.11811 150.6
[M+HCOO]- 316.11905 173.0
[M+CH3COO]- 330.13470 169.0
[M+Na-2H]- 292.09552 163.2
[M]+ 271.12030 156.3
[M]- 271.12140 156.3
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