CID 135474247

8-amino-2'-nordeoxyguanosine

Structural Information

Molecular Formula
C9H14N6O4
SMILES
C(C(CO)OCN1C2=C(C(=O)NC(=N2)N)N=C1N)O
InChI
InChI=1S/C9H14N6O4/c10-8-13-6-5(7(18)14-8)12-9(11)15(6)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H2,11,12)(H3,10,13,14,18)
InChIKey
SYAUXCCCMBAREC-UHFFFAOYSA-N
Compound name
2,8-diamino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

270.10767 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11495 156.9
[M+Na]+ 293.09689 166.6
[M-H]- 269.10039 153.2
[M+NH4]+ 288.14149 168.1
[M+K]+ 309.07083 162.4
[M+H-H2O]+ 253.10493 148.9
[M+HCOO]- 315.10587 174.5
[M+CH3COO]- 329.12152 195.8
[M+Na-2H]- 291.08234 160.6
[M]+ 270.10712 156.9
[M]- 270.10822 156.9
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