CID 26730

14548-19-7

Structural Information

Molecular Formula
C9H20NO3
SMILES
CCOC(=O)C[C@H](C[N+](C)(C)C)O
InChI
InChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKey
LIVZKOLXSFTCAZ-MRVPVSSYSA-N
Compound name
[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.14432 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.151596 141.6
[M+Na]+ 213.133538 147.1
[M-H]- 189.137044 142.1
[M+NH4]+ 208.178143 161.1
[M+K]+ 229.107478 142.4
[M+H-H2O]+ 173.141580 139.8
[M+HCOO]- 235.142521 162.5
[M+CH3COO]- 249.158171 180.3
[M+Na-2H]- 211.118986 148.2
[M]+ 190.14377142 143.2
[M]- 190.14486858 143.2
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

patents stripe