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 141.0
[M+Na]+ 211.06893 145.7
[M-H]- 187.07243 135.2
[M+NH4]+ 206.11353 155.7
[M+K]+ 227.04287 143.7
[M+H-H2O]+ 171.07697 134.6
[M+HCOO]- 233.07791 154.6
[M+CH3COO]- 247.09356 169.4
[M+Na-2H]- 209.05438 141.7
[M]+ 188.07916 136.2
[M]- 188.08026 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