CID 135453284

20350-44-1

Structural Information

Molecular Formula
C6H9N5O
SMILES
C1CNC2=C(N1)C(=O)NC(=N2)N
InChI
InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h8H,1-2H2,(H4,7,9,10,11,12)
InChIKey
BOEUHAUGJSOEDZ-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydro-3H-pteridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

78
References

754
Patents

167.0807 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.087976 136.5
[M+Na]+ 190.069918 144.9
[M-H]- 166.073424 131.3
[M+NH4]+ 185.114523 150.1
[M+K]+ 206.043858 139.3
[M+H-H2O]+ 150.077960 128.8
[M+HCOO]- 212.078901 150.0
[M+CH3COO]- 226.094551 146.4
[M+Na-2H]- 188.055366 144.0
[M]+ 167.08015142 127.8
[M]- 167.08124858 127.8
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