CID 15590160

Ribavirin carboxylic acid

Structural Information

Molecular Formula
C8H11N3O6
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)O
InChI
InChI=1S/C8H11N3O6/c12-1-3-4(13)5(14)7(17-3)11-2-9-6(10-11)8(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t3-,4-,5-,7-/m1/s1
InChIKey
JGRLGSOSBSHJIR-FNKGTGPASA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

42
Patents

245.06479 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07207 149.7
[M+Na]+ 268.05401 157.5
[M-H]- 244.05751 149.1
[M+NH4]+ 263.09861 162.5
[M+K]+ 284.02795 156.5
[M+H-H2O]+ 228.06205 143.2
[M+HCOO]- 290.06299 164.1
[M+CH3COO]- 304.07864 181.8
[M+Na-2H]- 266.03946 149.0
[M]+ 245.06424 149.0
[M]- 245.06534 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe