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]+ 191.151596 139.0
[M+Na]+ 213.133538 143.7
[M-H]- 189.137044 143.5
[M+NH4]+ 208.178143 157.6
[M+K]+ 229.107478 140.8
[M+H-H2O]+ 173.141580 137.2
[M+HCOO]- 235.142521 157.1
[M+CH3COO]- 249.158171 176.6
[M+Na-2H]- 211.118986 151.3
[M]+ 190.14377142 137.6
[M]- 190.14486858 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.