CID 200752

2644-71-5

Structural Information

Molecular Formula
C7H12N2O4
SMILES
C1=C(NC=N1)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C7H12N2O4/c10-2-5(11)7(13)6(12)4-1-8-3-9-4/h1,3,5-7,10-13H,2H2,(H,8,9)/t5-,6-,7-/m1/s1
InChIKey
NFARKZJOWDCJHH-FSDSQADBSA-N
Compound name
(1R,2S,3R)-1-(1H-imidazol-5-yl)butane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

188.07971 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.086986 141.0
[M+Na]+ 211.068928 145.7
[M-H]- 187.072434 135.2
[M+NH4]+ 206.113533 155.7
[M+K]+ 227.042868 143.7
[M+H-H2O]+ 171.076970 134.6
[M+HCOO]- 233.077911 154.6
[M+CH3COO]- 247.093561 169.4
[M+Na-2H]- 209.054376 141.7
[M]+ 188.07916142 136.2
[M]- 188.08025858 136.2
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