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

literature stripe

Patent stripe

patents stripe