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]+ 235.10773 151.8
[M+Na]+ 257.08967 158.1
[M-H]- 233.09317 149.4
[M+NH4]+ 252.13427 165.6
[M+K]+ 273.06361 154.4
[M+H-H2O]+ 217.09771 144.4
[M+HCOO]- 279.09865 166.6
[M+CH3COO]- 293.11430 184.8
[M+Na-2H]- 255.07512 157.3
[M]+ 234.09990 150.4
[M]- 234.10100 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.