CID 135508837

8-amino-2'-deoxyguanosine

Structural Information

Molecular Formula
C10H14N6O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)N=C2N)CO)O
InChI
InChI=1S/C10H14N6O4/c11-9-14-7-6(8(19)15-9)13-10(12)16(7)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H2,12,13)(H3,11,14,15,19)/t3-,4+,5+/m0/s1
InChIKey
BLLHHAGUCLNWQL-VPENINKCSA-N
Compound name
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

124
Patents

282.10767 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 161.4
[M+Na]+ 305.09689 171.8
[M-H]- 281.10039 162.2
[M+NH4]+ 300.14149 172.7
[M+K]+ 321.07083 167.8
[M+H-H2O]+ 265.10493 153.8
[M+HCOO]- 327.10587 177.9
[M+CH3COO]- 341.12152 171.7
[M+Na-2H]- 303.08234 162.2
[M]+ 282.10712 159.7
[M]- 282.10822 159.7
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