CID 171555

8-methyladenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C11H15N5O4/c1-4-15-6-9(12)13-3-14-10(6)16(4)11-8(19)7(18)5(2-17)20-11/h3,5,7-8,11,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
RTGYRFMTJZYXPD-IOSLPCCCSA-N
Compound name
(2R,3R,4S,5R)-2-(6-amino-8-methylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

602
Patents

281.1124 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 163.0
[M+Na]+ 304.10162 173.6
[M-H]- 280.10512 164.0
[M+NH4]+ 299.14622 175.0
[M+K]+ 320.07556 170.3
[M+H-H2O]+ 264.10966 155.6
[M+HCOO]- 326.11060 178.6
[M+CH3COO]- 340.12625 173.7
[M+Na-2H]- 302.08707 163.4
[M]+ 281.11185 163.8
[M]- 281.11295 163.8
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