CID 21299670

Dimboa trihexose

Structural Information

Molecular Formula
C8H16NO4
SMILES
C[N+](C)(C)C(CCC(=O)O)C(=O)O
InChI
InChI=1S/C8H15NO4/c1-9(2,3)6(8(12)13)4-5-7(10)11/h6H,4-5H2,1-3H3,(H-,10,11,12,13)/p+1
InChIKey
WTIGXLNNRAGPIV-UHFFFAOYSA-O
Compound name
1,3-dicarboxypropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

190.10793 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11521 137.9
[M+Na]+ 213.09715 143.2
[M-H]- 189.10065 137.1
[M+NH4]+ 208.14175 156.3
[M+K]+ 229.07109 138.3
[M+H-H2O]+ 173.10519 136.4
[M+HCOO]- 235.10613 157.1
[M+CH3COO]- 249.12178 177.0
[M+Na-2H]- 211.08260 143.5
[M]+ 190.10738 137.3
[M]- 190.10848 137.3
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