CID 453168

6-ohme-1,4-oxth-a

Structural Information

Molecular Formula
C10H13N5O2S
SMILES
C1[C@H](O[C@H](CS1)N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H13N5O2S/c11-9-8-10(13-4-12-9)15(5-14-8)7-3-18-2-6(1-16)17-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7-/m1/s1
InChIKey
YIESZIKBQOMSEZ-RNFRBKRXSA-N
Compound name
[(2R,6R)-6-(6-aminopurin-9-yl)-1,4-oxathian-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.079 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08628 155.8
[M+Na]+ 290.06822 165.9
[M-H]- 266.07172 157.8
[M+NH4]+ 285.11282 168.2
[M+K]+ 306.04216 161.9
[M+H-H2O]+ 250.07626 147.8
[M+HCOO]- 312.07720 167.9
[M+CH3COO]- 326.09285 166.6
[M+Na-2H]- 288.05367 158.9
[M]+ 267.07845 156.0
[M]- 267.07955 156.0
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.