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

3
Annotation Hits: 19
References: 147
Patents: 195.07562 Da
Monoisotopic Mass: -2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.08290	140.4
[M+Na]+	218.06484	151.8
[M+NH4]+	213.10944	145.6
[M+K]+	234.03878	148.0
[M-H]-	194.06834	138.8
[M+Na-2H]-	216.05029	143.9
[M]+	195.07507	141.1
[M]-	195.07617	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe