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]+ 161.14104 131.8
[M+Na]+ 183.12298 137.0
[M-H]- 159.12648 136.0
[M+NH4]+ 178.16758 151.3
[M+K]+ 199.09692 132.7
[M+H-H2O]+ 143.13102 129.8
[M+HCOO]- 205.13196 151.0
[M+CH3COO]- 219.14761 172.9
[M+Na-2H]- 181.10843 141.6
[M]+ 160.13321 128.1
[M]- 160.13431 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.