CID 3079946

4-butyl-2-phenyl-2-propoxymorpholine hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCCCN1CCOC(C1)(C2=CC=CC=C2)OCCC
InChI
InChI=1S/C17H27NO2/c1-3-5-11-18-12-14-20-17(15-18,19-13-4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3
InChIKey
AGUIDNMKLLUEAO-UHFFFAOYSA-N
Compound name
4-butyl-2-phenyl-2-propoxymorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 168.7
[M+Na]+ 300.19342 172.8
[M-H]- 276.19692 173.2
[M+NH4]+ 295.23802 183.7
[M+K]+ 316.16736 171.1
[M+H-H2O]+ 260.20146 160.0
[M+HCOO]- 322.20240 185.9
[M+CH3COO]- 336.21805 199.3
[M+Na-2H]- 298.17887 173.2
[M]+ 277.20365 169.1
[M]- 277.20475 169.1
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.