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 173.3
[M+Na]+ 331.17542 177.2
[M-H]- 307.17892 182.0
[M+NH4]+ 326.22002 185.6
[M+K]+ 347.14936 172.8
[M+H-H2O]+ 291.18346 168.3
[M+HCOO]- 353.18440 191.0
[M+CH3COO]- 367.20005 203.2
[M+Na-2H]- 329.16087 180.3
[M]+ 308.18565 174.4
[M]- 308.18675 174.4
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.