CID 500850

(2r)-1-[6-(sulfanylmethyl)purin-9-yl]propan-2-ol

Structural Information

Molecular Formula
C9H12N4OS
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)CS)O
InChI
InChI=1S/C9H12N4OS/c1-6(14)2-13-5-12-8-7(3-15)10-4-11-9(8)13/h4-6,14-15H,2-3H2,1H3/t6-/m1/s1
InChIKey
RVGQMVWYYXCZIM-ZCFIWIBFSA-N
Compound name
(2R)-1-[6-(sulfanylmethyl)purin-9-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08046 147.0
[M+Na]+ 247.06240 158.7
[M-H]- 223.06590 146.2
[M+NH4]+ 242.10700 163.4
[M+K]+ 263.03634 154.7
[M+H-H2O]+ 207.07044 139.8
[M+HCOO]- 269.07138 161.2
[M+CH3COO]- 283.08703 159.2
[M+Na-2H]- 245.04785 150.2
[M]+ 224.07263 152.1
[M]- 224.07373 152.1
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.