CID 3079946

Morpholine, 4-butyl-2-phenyl-2-propoxy-, 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]+ 278.211476 168.7
[M+Na]+ 300.193418 172.8
[M-H]- 276.196924 173.2
[M+NH4]+ 295.238023 183.7
[M+K]+ 316.167358 171.1
[M+H-H2O]+ 260.201460 160.0
[M+HCOO]- 322.202401 185.9
[M+CH3COO]- 336.218051 199.3
[M+Na-2H]- 298.178866 173.2
[M]+ 277.20365142 169.1
[M]- 277.20474858 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.