CID 451817

3'-hydroxymethyl-dda

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(3-18)19-8/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8-/m1/s1
InChIKey
ROKFTZONUGKALY-BWZBUEFSSA-N
Compound name
[(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

265.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.7
[M+Na]+ 288.10672 167.3
[M-H]- 264.11022 159.1
[M+NH4]+ 283.15132 170.6
[M+K]+ 304.08066 164.1
[M+H-H2O]+ 248.11476 149.4
[M+HCOO]- 310.11570 174.7
[M+CH3COO]- 324.13135 168.6
[M+Na-2H]- 286.09217 159.9
[M]+ 265.11695 158.1
[M]- 265.11805 158.1
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