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]+ 163.097826 134.3
[M+Na]+ 185.079768 145.2
[M-H]- 161.083274 134.7
[M+NH4]+ 180.124373 150.4
[M+K]+ 201.053708 131.4
[M+H-H2O]+ 145.087810 131.1
[M+HCOO]- 207.088751 152.8
[M+CH3COO]- 221.104401 167.6
[M+Na-2H]- 183.065216 149.5
[M]+ 162.09000142 132.9
[M]- 162.09109858 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.