CID 14298611

118176-26-4

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C12H14N2O3/c15-7-12(17)11(16)5-8-6-13-9-3-1-2-4-10(9)14-8/h1-4,6,11-12,15-17H,5,7H2/t11-,12+/m0/s1
InChIKey
KFKHJQAEESRVHL-NWDGAFQWSA-N
Compound name
(2R,3S)-4-quinoxalin-2-ylbutane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.8
[M+Na]+ 257.089668 158.1
[M-H]- 233.093174 149.4
[M+NH4]+ 252.134273 165.6
[M+K]+ 273.063608 154.4
[M+H-H2O]+ 217.097710 144.4
[M+HCOO]- 279.098651 166.6
[M+CH3COO]- 293.114301 184.8
[M+Na-2H]- 255.075116 157.3
[M]+ 234.09990142 150.4
[M]- 234.10099858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.