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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.128126	159.0
[M+Na]+	294.110068	166.4
[M-H]-	270.113574	164.3
[M+NH4]+	289.154673	176.7
[M+K]+	310.084008	164.1
[M+H-H2O]+	254.118110	151.6
[M+HCOO]-	316.119051	173.0
[M+CH3COO]-	330.134701	170.3
[M+Na-2H]-	292.095516	166.4
[M]+	271.12030142	158.6
[M]-	271.12139858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.