CID 13934

1027-93-6

Structural Information

Molecular Formula
C15H24NO3
SMILES
C[N+](C)(C)CC1(COC(OC1)C2=CC=CC=C2)CO
InChI
InChI=1S/C15H24NO3/c1-16(2,3)9-15(10-17)11-18-14(19-12-15)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/q+1
InChIKey
KNKUCWKUJVVFEO-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17563 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18291 159.9
[M+Na]+ 289.16485 173.4
[M+NH4]+ 284.20945 170.4
[M+K]+ 305.13879 166.7
[M-H]- 265.16835 168.1
[M+Na-2H]- 287.15030 168.7
[M]+ 266.17508 164.8
[M]- 266.17618 164.8
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.