CID 135398568

6-hydroxymethyl-7,8-dihydropterin

Structural Information

Molecular Formula
C7H9N5O2
SMILES
C1C(=NC2=C(N1)N=C(NC2=O)N)CO
InChI
InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
InChIKey
CQQNNQTXUGLUEV-UHFFFAOYSA-N
Compound name
2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

182
Patents

195.07562 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08290 142.9
[M+Na]+ 218.06484 152.6
[M-H]- 194.06834 138.3
[M+NH4]+ 213.10944 155.7
[M+K]+ 234.03878 147.0
[M+H-H2O]+ 178.07288 135.1
[M+HCOO]- 240.07382 157.6
[M+CH3COO]- 254.08947 153.1
[M+Na-2H]- 216.05029 150.1
[M]+ 195.07507 137.7
[M]- 195.07617 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe