CID 441045

(1r,2s)-1-(7,8-dihydropteridin-6-yl)propane-1,2-diol

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C[C@@H]([C@@H](C1=NC2=CN=CN=C2NC1)O)O
InChI
InChI=1S/C9H12N4O2/c1-5(14)8(15)6-3-11-9-7(13-6)2-10-4-12-9/h2,4-5,8,14-15H,3H2,1H3,(H,10,11,12)/t5-,8-/m0/s1
InChIKey
BQADMILWYUBNTA-XNCJUZBTSA-N
Compound name
(1R,2S)-1-(7,8-dihydropteridin-6-yl)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 145.8
[M+Na]+ 231.08524 156.9
[M+NH4]+ 226.12984 151.4
[M+K]+ 247.05918 153.3
[M-H]- 207.08874 143.8
[M+Na-2H]- 229.07069 149.6
[M]+ 208.09547 146.4
[M]- 208.09657 146.4
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.