CID 3069315

5-(6-methoxy-2-naphthalenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C34CNCC(O3)CO4
InChI
InChI=1S/C16H17NO3/c1-18-14-5-3-11-6-13(4-2-12(11)7-14)16-10-17-8-15(20-16)9-19-16/h2-7,15,17H,8-10H2,1H3
InChIKey
QIBARYCKTMZIQL-UHFFFAOYSA-N
Compound name
5-(6-methoxynaphthalen-2-yl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 159.0
[M+Na]+ 294.11007 166.4
[M-H]- 270.11357 164.3
[M+NH4]+ 289.15467 176.7
[M+K]+ 310.08401 164.1
[M+H-H2O]+ 254.11811 151.6
[M+HCOO]- 316.11905 173.0
[M+CH3COO]- 330.13470 170.3
[M+Na-2H]- 292.09552 166.4
[M]+ 271.12030 158.6
[M]- 271.12140 158.6
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.