CID 135398592

2'-deoxyguanosine

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
InChIKey
YKBGVTZYEHREMT-KVQBGUIXSA-N
Compound name
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

7296
References

37410
Patents

267.09674 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.6
[M+Na]+ 290.08596 167.5
[M+NH4]+ 285.13056 161.7
[M+K]+ 306.05990 169.4
[M-H]- 266.08946 157.6
[M+Na-2H]- 288.07141 159.0
[M]+ 267.09619 158.4
[M]- 267.09729 158.4
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