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 161.0
[M+Na]+ 289.16485 165.4
[M-H]- 265.16835 168.5
[M+NH4]+ 284.20945 176.3
[M+K]+ 305.13879 160.5
[M+H-H2O]+ 249.17289 157.1
[M+HCOO]- 311.17383 178.5
[M+CH3COO]- 325.18948 191.6
[M+Na-2H]- 287.15030 171.5
[M]+ 266.17508 159.6
[M]- 266.17618 159.6
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

No patent data available for this compound.