CID 453171

N-me-6-ohme-1,4-morph-a

Structural Information

Molecular Formula
C11H16N6O2
SMILES
CN1C[C@H](O[C@H](C1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H16N6O2/c1-16-2-7(4-18)19-8(3-16)17-6-15-9-10(12)13-5-14-11(9)17/h5-8,18H,2-4H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
CCKNOEUQVDQUJA-JGVFFNPUSA-N
Compound name
[(2S,6R)-6-(6-aminopurin-9-yl)-4-methylmorpholin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 162.6
[M+Na]+ 287.12270 172.3
[M-H]- 263.12620 163.2
[M+NH4]+ 282.16730 172.9
[M+K]+ 303.09664 168.3
[M+H-H2O]+ 247.13074 152.4
[M+HCOO]- 309.13168 177.1
[M+CH3COO]- 323.14733 172.6
[M+Na-2H]- 285.10815 166.4
[M]+ 264.13293 161.4
[M]- 264.13403 161.4
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.