CID 20240276

1347648-53-6

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC1=CC2=C(C=C1)OCC3C2CCCN3
InChI
InChI=1S/C13H17NO2/c1-15-9-4-5-13-11(7-9)10-3-2-6-14-12(10)8-16-13/h4-5,7,10,12,14H,2-3,6,8H2,1H3
InChIKey
ODUMGSVRAHLVDM-UHFFFAOYSA-N
Compound name
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.0
[M+Na]+ 242.11515 162.0
[M+NH4]+ 237.15975 158.7
[M+K]+ 258.08909 154.8
[M-H]- 218.11865 153.1
[M+Na-2H]- 240.10060 153.2
[M]+ 219.12538 152.0
[M]- 219.12648 152.0
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