CID 469101

[(5s)-5-(6-aminopurin-9-yl)-4,5-dihydroisoxazol-3-yl]methanol

Structural Information

Molecular Formula
C9H10N6O2
SMILES
C1[C@H](ON=C1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H10N6O2/c10-8-7-9(12-3-11-8)15(4-13-7)6-1-5(2-16)14-17-6/h3-4,6,16H,1-2H2,(H2,10,11,12)/t6-/m0/s1
InChIKey
IVOYCNWAAJYPGZ-LURJTMIESA-N
Compound name
[(5S)-5-(6-aminopurin-9-yl)-4,5-dihydro-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08652 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09380 148.4
[M+Na]+ 257.07574 159.8
[M-H]- 233.07924 150.1
[M+NH4]+ 252.12034 161.8
[M+K]+ 273.04968 156.8
[M+H-H2O]+ 217.08378 139.3
[M+HCOO]- 279.08472 167.5
[M+CH3COO]- 293.10037 160.5
[M+Na-2H]- 255.06119 153.3
[M]+ 234.08597 150.0
[M]- 234.08707 150.0
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

No patent data available for this compound.