CID 129692226

[2-(carboxymethyl)-2,5-dihydroxy-4-methyl-3-oxopentyl]-trimethylazanium

Structural Information

Molecular Formula
C11H22NO5
SMILES
CC(CO)C(=O)C(CC(=O)O)(C[N+](C)(C)C)O
InChI
InChI=1S/C11H21NO5/c1-8(6-13)10(16)11(17,5-9(14)15)7-12(2,3)4/h8,13,17H,5-7H2,1-4H3/p+1
InChIKey
VSKLPYYGZFVUOS-UHFFFAOYSA-O
Compound name
[2-(carboxymethyl)-2,5-dihydroxy-4-methyl-3-oxopentyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

248.1498 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15708 153.3
[M+Na]+ 271.13902 159.9
[M+NH4]+ 266.18362 157.8
[M+K]+ 287.11296 160.7
[M-H]- 247.14252 149.8
[M+Na-2H]- 269.12447 153.4
[M]+ 248.14925 153.1
[M]- 248.15035 153.1
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.