CID 14176

Hc 1575

Structural Information

Molecular Formula
C17H26NO4
SMILES
CC(=O)OCC1C(COC(O1)C2=CC=CC=C2)C[N+](C)(C)C
InChI
InChI=1S/C17H26NO4/c1-13(19)20-12-16-15(10-18(2,3)4)11-21-17(22-16)14-8-6-5-7-9-14/h5-9,15-17H,10-12H2,1-4H3/q+1
InChIKey
GNSJSJODFIEKPY-UHFFFAOYSA-N
Compound name
[4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1862 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19348 171.1
[M+Na]+ 331.17542 184.1
[M+NH4]+ 326.22002 179.2
[M+K]+ 347.14936 179.8
[M-H]- 307.17892 178.8
[M+Na-2H]- 329.16087 177.2
[M]+ 308.18565 175.5
[M]- 308.18675 175.5
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.