CID 2057437

4-(3-phenoxypropyl)morpholine

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1COCCN1CCCOC2=CC=CC=C2
InChI
InChI=1S/C13H19NO2/c1-2-5-13(6-3-1)16-10-4-7-14-8-11-15-12-9-14/h1-3,5-6H,4,7-12H2
InChIKey
XXPALPCSRNTJKT-UHFFFAOYSA-N
Compound name
4-(3-phenoxypropyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

101
Patents

221.14159 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.8
[M+Na]+ 244.13081 154.6
[M-H]- 220.13431 155.2
[M+NH4]+ 239.17541 165.7
[M+K]+ 260.10475 153.6
[M+H-H2O]+ 204.13885 142.1
[M+HCOO]- 266.13979 169.3
[M+CH3COO]- 280.15544 186.7
[M+Na-2H]- 242.11626 157.1
[M]+ 221.14104 149.1
[M]- 221.14214 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe