CID 445966

(5r)-5-{[(2-amino-3h-purin-6-yl)oxy]methyl}-2-pyrrolidinone

Structural Information

Molecular Formula
C10H12N6O2
SMILES
C1CC(=O)N[C@H]1COC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1
InChIKey
UYPMMHCTXQIWDX-RXMQYKEDSA-N
Compound name
(5R)-5-[(2-amino-7H-purin-6-yl)oxymethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

248.10217 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10945 153.0
[M+Na]+ 271.09139 162.5
[M-H]- 247.09489 152.4
[M+NH4]+ 266.13599 166.2
[M+K]+ 287.06533 157.4
[M+H-H2O]+ 231.09943 143.8
[M+HCOO]- 293.10037 170.0
[M+CH3COO]- 307.11602 163.4
[M+Na-2H]- 269.07684 155.9
[M]+ 248.10162 150.5
[M]- 248.10272 150.5
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