CID 65095

1-methylinosine

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CN1C=NC2=C(C1=O)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
WJNGQIYEQLPJMN-IOSLPCCCSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

22395
Patents

282.0964 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 161.0
[M+Na]+ 305.08562 172.6
[M-H]- 281.08912 162.4
[M+NH4]+ 300.13022 173.4
[M+K]+ 321.05956 169.6
[M+H-H2O]+ 265.09366 153.9
[M+HCOO]- 327.09460 176.5
[M+CH3COO]- 341.11025 172.3
[M+Na-2H]- 303.07107 161.7
[M]+ 282.09585 164.1
[M]- 282.09695 164.1
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

No patent data available for this compound.