CID 466069

1,3-dimethylpteridine

Structural Information

Molecular Formula
C8H10N4
SMILES
C[N+]1=CC2=NC=CN=C2[N+](=C1)C
InChI
InChI=1S/C8H10N4/c1-11-5-7-8(12(2)6-11)10-4-3-9-7/h3-6H,1-2H3/q+2
InChIKey
WZPGIZGCBKKHIS-UHFFFAOYSA-N
Compound name
1,3-dimethylpteridine-1,3-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.09055 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 134.3
[M+Na]+ 185.07977 145.2
[M-H]- 161.08327 134.7
[M+NH4]+ 180.12437 150.4
[M+K]+ 201.05371 131.4
[M+H-H2O]+ 145.08781 131.1
[M+HCOO]- 207.08875 152.8
[M+CH3COO]- 221.10440 167.6
[M+Na-2H]- 183.06522 149.5
[M]+ 162.09000 132.9
[M]- 162.09110 132.9
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

No patent data available for this compound.