CID 430094

Morpholinium, 4-ethyl-4-tetradecyl-, ethyl sulfate

Structural Information

Molecular Formula
C20H42NO
SMILES
CCCCCCCCCCCCCC[N+]1(CCOCC1)CC
InChI
InChI=1S/C20H42NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21(4-2)17-19-22-20-18-21/h3-20H2,1-2H3/q+1
InChIKey
NZQJPWUERLLYCX-UHFFFAOYSA-N
Compound name
4-ethyl-4-tetradecylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

312.32663 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.33391 184.9
[M+Na]+ 335.31585 185.3
[M-H]- 311.31935 184.9
[M+NH4]+ 330.36045 198.7
[M+K]+ 351.28979 177.5
[M+H-H2O]+ 295.32389 179.7
[M+HCOO]- 357.32483 199.0
[M+CH3COO]- 371.34048 203.4
[M+Na-2H]- 333.30130 188.5
[M]+ 312.32608 185.6
[M]- 312.32718 185.6
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

patents stripe