CID 440569

Imidazoleacetic acid riboside

Structural Information

Molecular Formula
C10H14N2O6
SMILES
C1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)CC(=O)O
InChI
InChI=1S/C10H14N2O6/c13-3-6-8(16)9(17)10(18-6)12-2-5(11-4-12)1-7(14)15/h2,4,6,8-10,13,16-17H,1,3H2,(H,14,15)/t6-,8-,9-,10-/m1/s1
InChIKey
AHPWEWASPTZMEK-PEBGCTIMSA-N
Compound name
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

258.08517 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09245 156.4
[M+Na]+ 281.07439 163.1
[M+NH4]+ 276.11899 159.7
[M+K]+ 297.04833 166.4
[M-H]- 257.07789 154.6
[M+Na-2H]- 279.05984 155.6
[M]+ 258.08462 156.1
[M]- 258.08572 156.1
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