CID 135409287

2'-c-methylinosine

Structural Information

Molecular Formula
C11H14N4O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-11(19)7(17)5(2-16)20-10(11)15-4-14-6-8(15)12-3-13-9(6)18/h3-5,7,10,16-17,19H,2H2,1H3,(H,12,13,18)/t5-,7-,10-,11-/m1/s1
InChIKey
IZDKLIPLXAIBNF-YRKGHMEHSA-N
Compound name
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

74
Patents

282.0964 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 159.5
[M+Na]+ 305.08562 170.9
[M-H]- 281.08912 159.6
[M+NH4]+ 300.13022 173.1
[M+K]+ 321.05956 167.4
[M+H-H2O]+ 265.09366 153.0
[M+HCOO]- 327.09460 173.7
[M+CH3COO]- 341.11025 170.4
[M+Na-2H]- 303.07107 162.1
[M]+ 282.09585 161.0
[M]- 282.09695 161.0
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