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

18
Patents

188.07971 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 140.6
[M+Na]+ 211.06893 146.6
[M+NH4]+ 206.11353 144.6
[M+K]+ 227.04287 148.1
[M-H]- 187.07243 136.0
[M+Na-2H]- 209.05438 141.0
[M]+ 188.07916 139.4
[M]- 188.08026 139.4
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