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 152.5
[M+Na]+ 271.13902 156.4
[M-H]- 247.14252 150.0
[M+NH4]+ 266.18362 167.9
[M+K]+ 287.11296 151.0
[M+H-H2O]+ 231.14706 151.2
[M+HCOO]- 293.14800 167.9
[M+CH3COO]- 307.16365 185.9
[M+Na-2H]- 269.12447 157.7
[M]+ 248.14925 152.0
[M]- 248.15035 152.0
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.