CID 117615

4-hexadecylmorpholine

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCCCCCCCCCCCCCN1CCOCC1
InChI
InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22-20-18-21/h2-20H2,1H3
InChIKey
JCTYXESWNZITDY-UHFFFAOYSA-N
Compound name
4-hexadecylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

311.31882 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.32610 187.2
[M+Na]+ 334.30804 186.7
[M-H]- 310.31154 186.4
[M+NH4]+ 329.35264 198.9
[M+K]+ 350.28198 184.1
[M+H-H2O]+ 294.31608 178.0
[M+HCOO]- 356.31702 201.6
[M+CH3COO]- 370.33267 210.1
[M+Na-2H]- 332.29349 187.2
[M]+ 311.31827 189.2
[M]- 311.31937 189.2
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