CID 3049316

64647-13-8

Structural Information

Molecular Formula
C8H18NO2
SMILES
C[N+](C)(C)C1CCCOC1O
InChI
InChI=1S/C8H18NO2/c1-9(2,3)7-5-4-6-11-8(7)10/h7-8,10H,4-6H2,1-3H3/q+1
InChIKey
LRSHDXJWXSQWLB-UHFFFAOYSA-N
Compound name
(2-hydroxyoxan-3-yl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.13376 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.141036 131.8
[M+Na]+ 183.122978 137.0
[M-H]- 159.126484 136.0
[M+NH4]+ 178.167583 151.3
[M+K]+ 199.096918 132.7
[M+H-H2O]+ 143.131020 129.8
[M+HCOO]- 205.131961 151.0
[M+CH3COO]- 219.147611 172.9
[M+Na-2H]- 181.108426 141.6
[M]+ 160.13321142 128.1
[M]- 160.13430858 128.1
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.