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 147.3
[M+Na]+ 237.08457 152.8
[M-H]- 213.08807 142.9
[M+NH4]+ 232.12917 160.2
[M+K]+ 253.05851 150.9
[M+H-H2O]+ 197.09261 140.5
[M+HCOO]- 259.09355 161.1
[M+CH3COO]- 273.10920 179.0
[M+Na-2H]- 235.07002 149.2
[M]+ 214.09480 145.0
[M]- 214.09590 145.0
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.