CID 13426

878-62-6

Structural Information

Molecular Formula
C9H20NO3
SMILES
C[N+](C)(C)CC1(COCOC1)CO
InChI
InChI=1S/C9H20NO3/c1-10(2,3)4-9(5-11)6-12-8-13-7-9/h11H,4-8H2,1-3H3/q+1
InChIKey
PNOYNGPMOUCEBU-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-1,3-dioxan-5-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.14432 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15160 139.0
[M+Na]+ 213.13354 143.7
[M-H]- 189.13704 143.5
[M+NH4]+ 208.17814 157.6
[M+K]+ 229.10748 140.8
[M+H-H2O]+ 173.14158 137.2
[M+HCOO]- 235.14252 157.1
[M+CH3COO]- 249.15817 176.6
[M+Na-2H]- 211.11899 151.3
[M]+ 190.14377 137.6
[M]- 190.14487 137.6
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.