CID 3079163

4-methyl-2-(octyloxy)-2-phenylmorpholine hydrochloride

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCCCCCOC1(CN(CCO1)C)C2=CC=CC=C2
InChI
InChI=1S/C19H31NO2/c1-3-4-5-6-7-11-15-21-19(17-20(2)14-16-22-19)18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-17H2,1-2H3
InChIKey
VJRLMIXNWWBXJG-UHFFFAOYSA-N
Compound name
4-methyl-2-octoxy-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.24275 177.6
[M+Na]+ 328.22469 180.8
[M-H]- 304.22819 181.7
[M+NH4]+ 323.26929 191.5
[M+K]+ 344.19863 178.7
[M+H-H2O]+ 288.23273 168.6
[M+HCOO]- 350.23367 194.2
[M+CH3COO]- 364.24932 205.3
[M+Na-2H]- 326.21014 181.1
[M]+ 305.23492 178.8
[M]- 305.23602 178.8
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.