CID 453864

2',3'-methanodda

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1C2C1[C@@H](O[C@@H]2CO)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C11H13N5O2/c12-9-8-10(14-3-13-9)16(4-15-8)11-6-1-5(6)7(2-17)18-11/h3-7,11,17H,1-2H2,(H2,12,13,14)/t5?,6?,7-,11-/m1/s1
InChIKey
BTSIVDXFPRZXRW-LRIQFXKISA-N
Compound name
[(2S,4R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.10692 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 161.6
[M+Na]+ 270.09614 175.0
[M-H]- 246.09964 165.7
[M+NH4]+ 265.14074 172.5
[M+K]+ 286.07008 169.0
[M+H-H2O]+ 230.10418 154.1
[M+HCOO]- 292.10512 179.6
[M+CH3COO]- 306.12077 173.1
[M+Na-2H]- 268.08159 164.8
[M]+ 247.10637 165.9
[M]- 247.10747 165.9
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.