CID 202871

13440-26-1

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC1=CN=CC(=N1)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C9H14N2O4/c1-5-2-10-3-6(11-5)8(14)9(15)7(13)4-12/h2-3,7-9,12-15H,4H2,1H3/t7-,8-,9-/m1/s1
InChIKey
JHZAQNFLUSEYDA-IWSPIJDZSA-N
Compound name
(1R,2S,3R)-1-(6-methylpyrazin-2-yl)butane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 147.1
[M+Na]+ 237.08457 155.7
[M+NH4]+ 232.12917 151.4
[M+K]+ 253.05851 154.3
[M-H]- 213.08807 144.0
[M+Na-2H]- 235.07002 149.2
[M]+ 214.09480 146.9
[M]- 214.09590 146.9
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.