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
2
Annotation Hits

3
References

352
Patents

134.05925 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 124.1
[M+Na]+ 157.04847 134.5
[M-H]- 133.05197 123.2
[M+NH4]+ 152.09307 141.4
[M+K]+ 173.02241 131.5
[M+H-H2O]+ 117.05651 115.3
[M+HCOO]- 179.05745 144.1
[M+CH3COO]- 193.07310 137.4
[M+Na-2H]- 155.03392 137.3
[M]+ 134.05870 123.7
[M]- 134.05980 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