CID 135508762

Cycloprop-g

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1=NC2=C(N1C3[C@@H]([C@H]3CO)CO)N=C(NC2=O)N
InChI
InChI=1S/C10H13N5O3/c11-10-13-8-6(9(18)14-10)12-3-15(8)7-4(1-16)5(7)2-17/h3-5,7,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5-/m1/s1
InChIKey
CACHMLHTJISMNP-RFZPGFLSSA-N
Compound name
2-amino-9-[(2R,3R)-2,3-bis(hydroxymethyl)cyclopropyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.10184 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 163.3
[M+Na]+ 274.09106 176.9
[M-H]- 250.09456 163.8
[M+NH4]+ 269.13566 171.7
[M+K]+ 290.06500 168.1
[M+H-H2O]+ 234.09910 156.0
[M+HCOO]- 296.10004 181.2
[M+CH3COO]- 310.11569 173.7
[M+Na-2H]- 272.07651 166.3
[M]+ 251.10129 166.0
[M]- 251.10239 166.0
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

patents stripe