CID 451526

Ohme-oxetanyl-a

Structural Information

Molecular Formula
C9H11N5O2
SMILES
C1[C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C9H11N5O2/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-15)16-6/h3-6,15H,1-2H2,(H2,10,11,12)/t5-,6+/m0/s1
InChIKey
QNROWADMDDKKHX-NTSWFWBYSA-N
Compound name
[(2S,4R)-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.09128 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09856 145.4
[M+Na]+ 244.08050 154.4
[M-H]- 220.08400 147.3
[M+NH4]+ 239.12510 152.6
[M+K]+ 260.05444 154.9
[M+H-H2O]+ 204.08854 131.2
[M+HCOO]- 266.08948 163.1
[M+CH3COO]- 280.10513 156.7
[M+Na-2H]- 242.06595 151.3
[M]+ 221.09073 154.9
[M]- 221.09183 154.9
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