CID 135456672

(1r,3r,4s)-9-(5-hydroxymethylspiropentyl-1-yl)guanine

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1[C@H]([C@]12C[C@@H]2N3C=NC4=C3N=C(NC4=O)N)CO
InChI
InChI=1S/C11H13N5O2/c12-10-14-8-7(9(18)15-10)13-4-16(8)6-2-11(6)1-5(11)3-17/h4-6,17H,1-3H2,(H3,12,14,15,18)/t5-,6-,11+/m0/s1
InChIKey
BMIMUXXXBXWZHU-ZJXQECPTSA-N
Compound name
2-amino-9-[(2S,3R,5R)-5-(hydroxymethyl)spiro[2.2]pentan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.10692 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 180.3
[M+Na]+ 270.09614 192.6
[M-H]- 246.09964 183.4
[M+NH4]+ 265.14074 185.3
[M+K]+ 286.07008 185.0
[M+H-H2O]+ 230.10418 174.6
[M+HCOO]- 292.10512 195.8
[M+CH3COO]- 306.12077 188.2
[M+Na-2H]- 268.08159 182.1
[M]+ 247.10637 184.0
[M]- 247.10747 184.0
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

No patent data available for this compound.