CID 485907

Guanine [(s)-2'd-methanocarba-g]

Structural Information

Molecular Formula
C12H16N6O2
SMILES
C1CC2(CC2(C1O)CO)N3C=NC4=C(N=C(N=C43)N)N
InChI
InChI=1S/C12H16N6O2/c13-8-7-9(17-10(14)16-8)18(5-15-7)12-2-1-6(20)11(12,3-12)4-19/h5-6,19-20H,1-4H2,(H4,13,14,16,17)
InChIKey
CREQVDXYYKRKFM-UHFFFAOYSA-N
Compound name
5-(2,6-diaminopurin-9-yl)-1-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13348 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14076 164.2
[M+Na]+ 299.12270 177.5
[M-H]- 275.12620 166.7
[M+NH4]+ 294.16730 178.0
[M+K]+ 315.09664 170.8
[M+H-H2O]+ 259.13074 158.8
[M+HCOO]- 321.13168 181.6
[M+CH3COO]- 335.14733 175.0
[M+Na-2H]- 297.10815 169.2
[M]+ 276.13293 166.6
[M]- 276.13403 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.