CID 53308741

Ip2015

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=CC2=C(C=C(C=C2)OC3C[C@H]4CC[C@@H](C3)N4)OC1=O
InChI
InChI=1S/C17H19NO4/c1-20-16-6-10-2-5-13(9-15(10)22-17(16)19)21-14-7-11-3-4-12(8-14)18-11/h2,5-6,9,11-12,14,18H,3-4,7-8H2,1H3/t11-,12+,14?
InChIKey
JCRMWMMEWIZRMN-ONXXMXGDSA-N
Compound name
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-3-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 165.9
[M+Na]+ 324.12062 173.2
[M-H]- 300.12412 170.7
[M+NH4]+ 319.16522 182.0
[M+K]+ 340.09456 169.9
[M+H-H2O]+ 284.12866 158.5
[M+HCOO]- 346.12960 180.7
[M+CH3COO]- 360.14525 176.7
[M+Na-2H]- 322.10607 170.1
[M]+ 301.13085 166.4
[M]- 301.13195 166.4
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

No patent data available for this compound.