CID 102175

N6-methyladenosine

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
VQAYFKKCNSOZKM-IOSLPCCCSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2923
References

20785
Patents

281.1124 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.1
[M+Na]+ 304.10162 170.9
[M-H]- 280.10512 162.2
[M+NH4]+ 299.14622 173.1
[M+K]+ 320.07556 167.9
[M+H-H2O]+ 264.10966 153.3
[M+HCOO]- 326.11060 177.4
[M+CH3COO]- 340.12625 171.8
[M+Na-2H]- 302.08707 163.4
[M]+ 281.11185 162.5
[M]- 281.11295 162.5
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