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]+ 233.164836 154.5
[M+Na]+ 255.146778 157.9
[M-H]- 231.150284 156.6
[M+NH4]+ 250.191383 167.8
[M+K]+ 271.120718 154.5
[M+H-H2O]+ 215.154820 145.0
[M+HCOO]- 277.155761 166.5
[M+CH3COO]- 291.171411 163.6
[M+Na-2H]- 253.132226 159.9
[M]+ 232.15701142 146.6
[M]- 232.15810858 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.