CID 6480505

5'-o-methyladenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
COC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H15N5O4/c1-19-2-5-7(17)8(18)11(20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
MLFJPVLRZZMIIP-IOSLPCCCSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(methoxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3781
Patents

281.1124 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.0
[M+Na]+ 304.10162 171.2
[M-H]- 280.10512 162.9
[M+NH4]+ 299.14622 173.4
[M+K]+ 320.07556 168.7
[M+H-H2O]+ 264.10966 153.0
[M+HCOO]- 326.11060 178.2
[M+CH3COO]- 340.12625 172.1
[M+Na-2H]- 302.08707 162.7
[M]+ 281.11185 163.2
[M]- 281.11295 163.2
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