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

192
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.