CID 75667

N-dodecylmorpholine n-oxide

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCCC[N+]1(CCOCC1)[O-]
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(18)13-15-19-16-14-17/h2-16H2,1H3
InChIKey
FHORWCGUALMRKR-UHFFFAOYSA-N
Compound name
4-dodecyl-4-oxidomorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

151
Patents

271.25113 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.25841 171.6
[M+Na]+ 294.24035 173.1
[M-H]- 270.24385 170.7
[M+NH4]+ 289.28495 186.2
[M+K]+ 310.21429 166.8
[M+H-H2O]+ 254.24839 169.2
[M+HCOO]- 316.24933 186.6
[M+CH3COO]- 330.26498 190.5
[M+Na-2H]- 292.22580 176.3
[M]+ 271.25058 169.9
[M]- 271.25168 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe