CID 3079163

124497-88-7

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]+ 306.242746 177.6
[M+Na]+ 328.224688 180.8
[M-H]- 304.228194 181.7
[M+NH4]+ 323.269293 191.5
[M+K]+ 344.198628 178.7
[M+H-H2O]+ 288.232730 168.6
[M+HCOO]- 350.233671 194.2
[M+CH3COO]- 364.249321 205.3
[M+Na-2H]- 326.210136 181.1
[M]+ 305.23492142 178.8
[M]- 305.23601858 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.