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]+ 304.227096 175.6
[M+Na]+ 326.209038 178.3
[M-H]- 302.212544 183.2
[M+NH4]+ 321.253643 189.4
[M+K]+ 342.182978 177.7
[M+H-H2O]+ 286.217080 165.8
[M+HCOO]- 348.218021 188.2
[M+CH3COO]- 362.233671 184.7
[M+Na-2H]- 324.194486 179.8
[M]+ 303.21927142 170.7
[M]- 303.22036858 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.