CID 72252

2627-64-7

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@H](O4)[C@H](O3)CO)N
InChI
InChI=1S/C10H11N5O3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(18-7)4(1-16)17-10/h2-4,6-7,10,16H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
RANSNKOSWWZYEJ-KQYNXXCUSA-N
Compound name
[(1R,2R,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

84
Patents

249.08618 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 161.1
[M+Na]+ 272.07540 174.9
[M-H]- 248.07890 165.9
[M+NH4]+ 267.12000 170.6
[M+K]+ 288.04934 170.5
[M+H-H2O]+ 232.08344 153.8
[M+HCOO]- 294.08438 178.4
[M+CH3COO]- 308.10003 172.8
[M+Na-2H]- 270.06085 165.0
[M]+ 249.08563 167.0
[M]- 249.08673 167.0
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.