CID 25058418

Ip2018

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 160.4
[M+Na]+ 294.11007 173.5
[M+NH4]+ 289.15467 169.6
[M+K]+ 310.08401 168.1
[M-H]- 270.11357 164.6
[M+Na-2H]- 292.09552 164.0
[M]+ 271.12030 163.4
[M]- 271.12140 163.4
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