CID 3076289

Brn 4355234

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC1(CC(CCO1)(CCN2CCOCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H29NO2/c1-18(2)16-19(9-13-22-18,17-6-4-3-5-7-17)8-10-20-11-14-21-15-12-20/h3-7H,8-16H2,1-2H3
InChIKey
IJXHUROMQMYMIR-UHFFFAOYSA-N
Compound name
4-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 175.6
[M+Na]+ 326.20904 178.3
[M-H]- 302.21254 183.2
[M+NH4]+ 321.25364 189.4
[M+K]+ 342.18298 177.7
[M+H-H2O]+ 286.21708 165.8
[M+HCOO]- 348.21802 188.2
[M+CH3COO]- 362.23367 184.7
[M+Na-2H]- 324.19449 179.8
[M]+ 303.21927 170.7
[M]- 303.22037 170.7
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.