CID 27476

1-methyladenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CN1C=NC2=C(C1=N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKey
GFYLSDSUCHVORB-IOSLPCCCSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

129
References

6278
Patents

281.1124 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 162.5
[M+Na]+ 304.10162 173.4
[M-H]- 280.10512 163.9
[M+NH4]+ 299.14622 174.7
[M+K]+ 320.07556 169.7
[M+H-H2O]+ 264.10966 155.1
[M+HCOO]- 326.11060 178.8
[M+CH3COO]- 340.12625 173.4
[M+Na-2H]- 302.08707 163.8
[M]+ 281.11185 163.5
[M]- 281.11295 163.5
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.