CID 465897

Cis-oxathiolan-2nh2-a

Structural Information

Molecular Formula
C9H12N6O2S
SMILES
C1[C@@H](O[C@@H](S1)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C9H12N6O2S/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-18-5(1-16)17-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5+/m1/s1
InChIKey
RVFCKJMWZSWHNP-UHNVWZDZSA-N
Compound name
[(2S,5R)-5-(2,6-diaminopurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07425 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08153 154.7
[M+Na]+ 291.06347 166.0
[M-H]- 267.06697 157.7
[M+NH4]+ 286.10807 168.8
[M+K]+ 307.03741 162.5
[M+H-H2O]+ 251.07151 147.7
[M+HCOO]- 313.07245 169.8
[M+CH3COO]- 327.08810 166.4
[M+Na-2H]- 289.04892 155.8
[M]+ 268.07370 156.0
[M]- 268.07480 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.