CID 13942

1031-38-5

Structural Information

Molecular Formula
C16H26NO3
SMILES
CC1(OCC(CO1)(C[N+](C)(C)C)CO)C2=CC=CC=C2
InChI
InChI=1S/C16H26NO3/c1-15(14-8-6-5-7-9-14)19-12-16(11-18,13-20-15)10-17(2,3)4/h5-9,18H,10-13H2,1-4H3/q+1
InChIKey
WEODCIZMAMHATG-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-2-methyl-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19853 163.6
[M+Na]+ 303.18047 168.6
[M-H]- 279.18397 171.3
[M+NH4]+ 298.22507 180.4
[M+K]+ 319.15441 164.0
[M+H-H2O]+ 263.18851 160.3
[M+HCOO]- 325.18945 180.8
[M+CH3COO]- 339.20510 194.3
[M+Na-2H]- 301.16592 175.0
[M]+ 280.19070 163.0
[M]- 280.19180 163.0
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.