CID 85475

4-octadecylmorpholine

Structural Information

Molecular Formula
C22H45NO
SMILES
CCCCCCCCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h2-22H2,1H3
InChIKey
GSMSOLOCRKCJMR-UHFFFAOYSA-N
Compound name
4-octadecylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

339.35013 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.357406 195.9
[M+Na]+ 362.339348 194.6
[M-H]- 338.342854 194.8
[M+NH4]+ 357.383953 206.5
[M+K]+ 378.313288 191.5
[M+H-H2O]+ 322.347390 186.4
[M+HCOO]- 384.348331 209.7
[M+CH3COO]- 398.363981 216.1
[M+Na-2H]- 360.324796 194.9
[M]+ 339.34958142 198.8
[M]- 339.35067858 198.8
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