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 146.9
[M+Na]+ 231.08524 153.8
[M-H]- 207.08874 141.8
[M+NH4]+ 226.12984 159.0
[M+K]+ 247.05918 149.9
[M+H-H2O]+ 191.09328 138.7
[M+HCOO]- 253.09422 158.4
[M+CH3COO]- 267.10987 180.0
[M+Na-2H]- 229.07069 152.9
[M]+ 208.09547 142.7
[M]- 208.09657 142.7
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.