CID 167

6,7-dihydropteridine

Structural Information

Molecular Formula
C6H6N4
SMILES
C1CN=C2C(=N1)C=NC=N2
InChI
InChI=1S/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2
InChIKey
KVDQMARGGBLIJM-UHFFFAOYSA-N
Compound name
6,7-dihydropteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

359
Patents

134.05925 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 124.1
[M+Na]+ 157.048468 134.5
[M-H]- 133.051974 123.2
[M+NH4]+ 152.093073 141.4
[M+K]+ 173.022408 131.5
[M+H-H2O]+ 117.056510 115.3
[M+HCOO]- 179.057451 144.1
[M+CH3COO]- 193.073101 137.4
[M+Na-2H]- 155.033916 137.3
[M]+ 134.05870142 123.7
[M]- 134.05979858 123.7
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