CID 83487362

6-benzyl-octahydro-2h-pyrido[4,3-b]morpholine

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CN(CC2C1OCCN2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2O/c1-2-4-12(5-3-1)10-16-8-6-14-13(11-16)15-7-9-17-14/h1-5,13-15H,6-11H2
InChIKey
NQOZBPSEWFZGRL-UHFFFAOYSA-N
Compound name
6-benzyl-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 154.5
[M+Na]+ 255.14678 157.9
[M-H]- 231.15028 156.6
[M+NH4]+ 250.19138 167.8
[M+K]+ 271.12072 154.5
[M+H-H2O]+ 215.15482 145.0
[M+HCOO]- 277.15576 166.5
[M+CH3COO]- 291.17141 163.6
[M+Na-2H]- 253.13223 159.9
[M]+ 232.15701 146.6
[M]- 232.15811 146.6
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.